data_2jpl_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 2jpl _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.869 0.366 . . . . 60.210000000000001 111.105 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -57.28 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 64.120000000000005 111.055 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -26.09 68.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.340000000000003 110.969 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -74.79 -58.51 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 74.030000000000001 110.981 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.59 -50.38 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.319999999999993 111.099 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.76 77.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 72.129999999999995 112.5 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -76.41 -39.17 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 73.409999999999997 110.913 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.13 68.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.329999999999998 111.125 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.3 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 75.439999999999998 110.906 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.859 0.361 . . . . 72.120000000000005 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.3 -43.65 96.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.34 -33.24 62.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 73.340000000000003 111.136 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -47.65 84.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.508 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.88 -44.72 72.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 74.540000000000006 110.895 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.19 -23.2 67.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 72.030000000000001 111.097 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -72.39 -27.95 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 73.299999999999997 110.876 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -80.7 -42.3 22.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 74.129999999999995 110.885 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.96 -26.13 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.409999999999997 111.14 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -55.13 10.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 110.884 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -28.68 66.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.439999999999998 110.86 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -71.29 -41.33 70.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 74.549999999999997 110.897 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -69.98 -51.94 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.861 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -78.74 -0.36 29.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 74.239999999999995 110.888 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.911 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.841 0.353 . . . . 73.5 111.147 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.15 -63.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 75.420000000000002 111.125 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -56.2 -32.78 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.230000000000004 110.932 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -62.07 -58.2 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 75.030000000000001 110.967 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.68 -42.39 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 111.125 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.17 -32.33 63.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 72.549999999999997 112.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -39.93 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 75.519999999999996 110.865 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.21 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.219999999999999 111.104 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.7 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 74.430000000000007 110.9 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.881 0.372 . . . . 72.409999999999997 110.863 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.45 -44.58 76.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 64.140000000000001 110.853 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.12 -32.34 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.329999999999998 111.145 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -47.92 83.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 62.140000000000001 110.91 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -66.92 -43.88 82.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 64.420000000000002 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.72 81.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.409999999999997 111.107 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -59.69 -26.81 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 71.209999999999994 110.862 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -41.95 60.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.915 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.82 -24.37 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.230000000000004 111.126 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -72.76 -50.25 25.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.019999999999996 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -62.99 -29.87 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.209999999999994 110.841 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -71.11 -46.35 61.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.409999999999997 110.854 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -67.25 -49.54 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.299999999999997 110.931 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -78.8 -0.38 30.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 75.209999999999994 110.832 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.845 0.355 . . . . 64.099999999999994 111.098 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -57.83 8.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.030000000000001 111.084 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -36.66 72.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 72.349999999999994 110.924 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -59.75 -56.92 15.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 75.409999999999997 110.939 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.1 t -52.42 -41.92 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 71.540000000000006 111.107 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.24 -39.77 97.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 55.439999999999998 112.47 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -75.45 -27.15 58.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 65.530000000000001 110.857 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.07 -53.75 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.135 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 75.129999999999995 110.933 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.872 0.368 . . . . 73.510000000000005 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.85 -53.19 59.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 55.340000000000003 110.856 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.8 t -54.9 -32.44 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 70.040000000000006 111.143 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -63.28 -48.72 76.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 71.349999999999994 110.896 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.456 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -60.95 -44.47 97.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.409999999999997 110.902 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.41 66.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 72.219999999999999 111.129 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -27.0 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.310000000000002 110.84 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -81.22 -41.41 22.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 74.349999999999994 110.841 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -68.35 -25.96 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 74.519999999999996 111.111 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -48.51 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.409999999999997 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -70.03 -30.19 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.25 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -27.77 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.430000000000007 110.868 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -76.0 -53.87 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 73.150000000000006 110.905 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -0.42 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.510000000000005 110.927 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.230000000000004 110.897 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.871 0.367 . . . . 52.119999999999997 111.163 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.73 -58.64 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 72.319999999999993 111.123 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.16 -30.32 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 73.209999999999994 110.923 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.74 -56.88 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 72.400000000000006 110.902 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.57 -38.02 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 65.409999999999997 111.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.23 -28.78 73.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.792 -0.718 . . . . 51.329999999999998 112.461 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.42 -34.29 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 73.540000000000006 110.882 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.14 -58.45 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 111.062 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 71.439999999999998 110.936 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.864 0.364 . . . . 75.530000000000001 110.812 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -52.94 -58.23 7.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 74.150000000000006 110.842 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t -51.29 -32.25 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 111.136 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -48.0 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 70.349999999999994 110.868 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.511 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -69.97 -45.7 66.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 75.299999999999997 110.937 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.45 -21.8 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 61.229999999999997 111.102 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -73.1 -27.84 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 74.239999999999995 110.867 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -40.93 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 73.239999999999995 110.846 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.22 -26.01 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.200000000000003 111.129 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -55.29 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 64.019999999999996 110.882 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 ptt85 -65.93 -26.98 67.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 71.129999999999995 110.87 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -71.89 -30.01 64.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 75.510000000000005 110.879 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -75.62 -55.24 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.510000000000005 110.917 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -78.73 -0.36 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.409999999999997 110.898 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 75.400000000000006 110.866 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.853 0.359 . . . . 75.349999999999994 111.13 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.74 -68.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 71.030000000000001 111.105 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.14 -39.83 69.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.150000000000006 110.95 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -50.51 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 70.420000000000002 110.92 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.71 -38.44 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 72.219999999999999 111.18 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.94 -32.84 76.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 64.299999999999997 112.459 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.26 -38.84 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 75.25 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.79 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 52.310000000000002 111.108 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 110.93 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.927 0.394 . . . . 74.239999999999995 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.43 -42.02 81.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.310000000000002 110.867 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.59 -32.48 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 75.430000000000007 111.113 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -47.82 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.540000000000006 110.922 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.81 -44.99 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 75.030000000000001 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.82 67.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 71.219999999999999 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -71.53 -30.09 65.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 70.239999999999995 110.85 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -78.7 -39.18 37.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 73.209999999999994 110.926 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.5 mt -69.29 -25.94 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 64.439999999999998 111.153 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -55.33 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 65.109999999999999 110.88 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -61.49 -26.42 67.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.540000000000006 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -69.81 -30.48 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.450000000000003 110.889 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -75.95 -53.59 8.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 72.319999999999993 110.892 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.78 -0.33 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.851 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 73.150000000000006 110.876 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.832 0.349 . . . . 74.530000000000001 111.075 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -51.73 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 75.409999999999997 111.086 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -33.68 74.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.239999999999995 110.926 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -51.87 53.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 75.409999999999997 110.922 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.12 -44.56 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 111.14 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.21 -37.4 59.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 74.450000000000003 112.514 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -70.91 -41.98 70.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 73.340000000000003 110.845 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 -31.37 72.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 75.530000000000001 111.136 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 63.210000000000001 110.896 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 74.040000000000006 110.832 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.48 -42.07 81.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.835 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.58 -32.42 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 63.25 111.13 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -47.85 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 110.88 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.88 -44.77 72.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.129999999999995 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -23.8 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 111.109 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -71.69 -30.11 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 70.25 110.832 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -78.66 -39.21 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 74.310000000000002 110.883 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.25 -26.02 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 70.549999999999997 111.149 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -53.99 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.430000000000007 110.907 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -26.22 64.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 72.230000000000004 110.878 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -48.64 80.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 72.450000000000003 110.915 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -34.17 53.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 75.340000000000003 110.859 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -78.74 -0.34 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 72.409999999999997 110.91 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.0 t60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 73.099999999999994 110.835 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.851 0.357 . . . . 73.010000000000005 111.144 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.51 -57.28 9.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 111.083 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -64.24 -25.05 67.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 73.439999999999998 110.938 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -77.4 -58.72 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 75.540000000000006 110.907 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.9 t -56.09 -54.06 31.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 73.120000000000005 111.125 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.37 60.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 74.140000000000001 112.489 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -76.74 -43.57 36.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 73.349999999999994 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.64 -30.9 67.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 70.329999999999998 111.071 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 75.420000000000002 110.915 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.844 0.354 . . . . 73.400000000000006 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.39 -38.14 71.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 110.891 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.0 t -67.13 -32.35 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 74.310000000000002 111.14 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -47.81 82.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 71.239999999999995 110.941 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.99 -44.96 71.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.140000000000001 110.945 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -23.06 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 44.229999999999997 111.098 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 t -72.37 -29.46 63.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.329999999999998 110.833 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -78.88 -39.96 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 74.420000000000002 110.917 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.2 mt -68.78 -26.02 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.319999999999993 111.089 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -55.42 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.230000000000004 110.86 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -26.19 68.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 74.510000000000005 110.873 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -69.42 -38.87 78.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.150000000000006 110.893 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -46.73 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 74.439999999999998 110.896 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.71 -0.33 29.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.129999999999995 110.903 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 64.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.356 . . . . 73.209999999999994 111.176 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -54.66 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 62.439999999999998 111.091 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.45 -26.22 68.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.400000000000006 110.912 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -75.8 -58.52 3.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 75.409999999999997 110.908 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.8 t -53.67 -49.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 75.219999999999999 111.143 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.05 -30.99 79.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 61.350000000000001 112.494 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -76.35 -38.65 55.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 63.520000000000003 110.91 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.76 -52.93 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 111.091 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 63.520000000000003 110.876 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.845 0.355 . . . . 71.329999999999998 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.95 -43.82 63.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.420000000000002 110.863 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.21 -32.39 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 111.133 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -47.94 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.881 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.74 -47.61 65.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.030000000000001 110.931 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.53 -22.78 66.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 72.439999999999998 111.139 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -72.74 -29.24 63.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 110.86 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -78.79 -39.8 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 72.310000000000002 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.98 -25.96 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.019999999999996 111.139 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -55.27 13.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 71.400000000000006 110.886 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -26.3 68.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.349999999999994 110.846 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -68.0 -42.86 80.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.540000000000006 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.89 -42.47 27.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.901 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.74 -0.35 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 110.907 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.7 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.868 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.89 0.376 . . . . 72.099999999999994 111.127 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.04 -69.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 73.239999999999995 111.126 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -52.4 -34.05 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.109999999999999 110.907 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -55.88 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.25 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.63 -48.13 81.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 65.209999999999994 111.121 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.92 -35.01 46.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 72.0 112.531 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -76.29 -37.24 57.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 75.409999999999997 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -27.36 62.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 63.229999999999997 111.068 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.89 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.904 0.383 . . . . 74.530000000000001 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -57.0 -45.1 83.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.863 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.8 -32.33 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 71.239999999999995 111.174 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -47.93 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 64.239999999999995 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.95 -44.63 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 110.953 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -23.27 67.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 64.310000000000002 111.072 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -72.34 -29.67 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.120000000000005 110.835 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -39.55 35.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 74.450000000000003 110.914 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -69.06 -25.96 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 72.129999999999995 111.106 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -55.34 9.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.329999999999998 110.835 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -62.01 -26.45 68.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 71.450000000000003 110.84 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -40.98 87.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 63.43 110.875 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -42.45 36.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 72.209999999999994 110.921 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -0.28 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.899 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 72.420000000000002 110.879 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.846 0.355 . . . . 74.010000000000005 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.55 -55.51 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 111.106 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -25.7 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.430000000000007 110.922 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -77.43 -58.59 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 74.430000000000007 110.888 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.11 -47.95 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 73.450000000000003 111.112 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.53 -31.88 81.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 73.200000000000003 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -76.57 -38.56 54.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.230000000000004 110.926 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -57.56 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 111.075 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.899 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.863 0.363 . . . . 73.450000000000003 110.881 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -52.22 -43.17 64.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 61.299999999999997 110.89 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.45 -32.36 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 64.150000000000006 111.102 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -47.85 82.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.918 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.9 -46.99 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.200000000000003 110.918 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -22.96 67.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 111.122 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.51 -29.27 63.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 75.030000000000001 110.847 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -78.95 -40.05 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.815 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.84 -25.95 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 70.310000000000002 111.172 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.88 -56.03 15.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.519999999999996 110.866 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -61.08 -26.29 67.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.861 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -43.14 73.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 72.420000000000002 110.904 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -77.35 -43.07 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.230000000000004 110.913 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -0.32 29.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 75.129999999999995 110.914 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 73.319999999999993 110.835 179.887 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.4 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.798 0.333 . . . . 71.129999999999995 111.082 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -54.88 25.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 111.101 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -65.48 -26.29 67.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 71.140000000000001 110.911 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -77.33 -58.7 3.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 74.519999999999996 110.868 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.84 -48.91 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 75.430000000000007 111.142 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.99 -31.69 81.57 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 72.540000000000006 112.515 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -76.66 -38.65 54.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 74.409999999999997 110.872 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.95 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 73.310000000000002 111.112 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 71.530000000000001 110.896 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.868 0.366 . . . . 75.430000000000007 110.822 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -53.47 -58.24 7.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.129999999999995 110.851 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.34 -31.89 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.230000000000004 111.13 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.12 -40.89 95.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.43 110.858 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.526 ' N ' HE21 ' A' ' 29' ' ' GLN . 3.0 mm-40 -68.03 -42.97 79.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.400000000000006 110.928 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.92 94.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 65.299999999999997 111.152 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -23.88 63.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 73.450000000000003 110.855 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -81.08 -43.57 19.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 74.340000000000003 110.827 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.7 mt -66.54 -26.01 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.439999999999998 111.123 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -53.52 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.409999999999997 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -69.31 -26.25 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -69.31 -47.13 65.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.030000000000001 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -73.58 -45.9 50.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 71.530000000000001 110.951 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.77 -0.32 29.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 73.010000000000005 110.901 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 75.329999999999998 110.887 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 74.120000000000005 111.114 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 -59.04 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 72.299999999999997 111.12 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -62.99 -29.84 71.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 61.350000000000001 110.93 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -73.18 -57.26 4.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 64.140000000000001 110.925 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.25 -37.95 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 74.120000000000005 111.144 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.81 -28.91 73.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 65.530000000000001 112.498 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -34.93 58.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 75.319999999999993 110.921 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.14 -47.43 51.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.109999999999999 111.111 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 54.329999999999998 110.942 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.832 0.349 . . . . 75.439999999999998 110.816 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.42 -39.14 75.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.109999999999999 110.871 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.07 -32.42 57.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 75.129999999999995 111.153 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -47.79 82.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.040000000000006 110.927 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.68 -45.44 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.85 -23.92 67.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 71.129999999999995 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -29.89 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.430000000000007 110.883 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -78.72 -39.43 36.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 75.219999999999999 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.11 -26.03 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 111.141 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -55.96 11.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.120000000000005 110.891 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -64.63 -26.75 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.400000000000006 110.89 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -71.96 -41.9 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 110.904 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -69.84 -50.72 39.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.78 -0.35 30.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 73.0 110.934 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 110.824 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.81 0.338 . . . . 71.340000000000003 111.129 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -60.07 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 60.409999999999997 111.089 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -25.84 68.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 75.430000000000007 110.888 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -76.07 -58.55 3.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 75.239999999999995 110.915 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -59.04 -43.51 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 65.109999999999999 111.101 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.02 -32.38 34.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 72.439999999999998 112.487 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -44.49 34.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 73.25 110.9 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.99 75.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 63.509999999999998 111.051 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 75.129999999999995 110.942 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.85 0.357 . . . . 75.439999999999998 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -58.66 -51.3 70.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.430000000000007 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.34 -32.45 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 75.540000000000006 111.174 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -47.63 85.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 62.43 110.869 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.513 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -69.07 -44.96 71.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 65.140000000000001 110.955 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.37 -22.47 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 111.085 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.09 -27.79 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 61.439999999999998 110.845 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -79.66 -41.11 27.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.439999999999998 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.7 mt -68.0 -26.05 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -54.56 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 64.310000000000002 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.52 -26.37 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 73.329999999999998 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -29.63 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.5 110.902 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -77.77 -50.42 12.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 75.200000000000003 110.87 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -78.84 -0.28 29.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.901 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.6 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 73.519999999999996 110.862 179.831 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.1 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.79 0.329 . . . . 74.409999999999997 111.116 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 111.107 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.9 -28.52 69.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.530000000000001 110.903 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -74.31 -57.39 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 71.510000000000005 110.908 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.96 -38.04 81.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 65.209999999999994 111.11 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.3 -28.56 73.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 72.140000000000001 112.465 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -76.66 -34.35 58.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 74.430000000000007 110.875 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.22 -57.7 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 51.229999999999997 111.07 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.430000000000007 110.893 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.879 0.371 . . . . 71.140000000000001 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.39 -45.22 94.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 64.230000000000004 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.2 t -64.42 -33.22 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 73.219999999999999 111.124 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -47.61 83.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.854 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.519 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.79 -44.73 72.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 75.540000000000006 110.874 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.87 -23.33 67.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 111.122 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -72.25 -28.61 63.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.200000000000003 110.86 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -40.98 27.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.140000000000001 110.899 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.06 -25.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 72.25 111.157 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -56.07 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 62.119999999999997 110.874 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -62.12 -26.67 68.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.867 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -71.99 -37.8 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.877 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -47.35 16.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.150000000000006 110.94 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -78.74 -0.36 30.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 72.310000000000002 110.896 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 73.209999999999994 110.868 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.863 0.363 . . . . 73.420000000000002 111.151 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.36 -54.88 26.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 60.420000000000002 111.114 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -26.21 68.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.019999999999996 110.897 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -75.61 -58.52 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 75.049999999999997 110.951 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.6 t -53.47 -50.72 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 73.430000000000007 111.1 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.07 -30.74 76.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 72.209999999999994 112.488 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -76.41 -39.27 54.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 61.409999999999997 110.896 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -60.1 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.030000000000001 111.066 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.918 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.843 0.354 . . . . 72.010000000000005 110.83 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.16 -50.3 74.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.549999999999997 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.55 -32.34 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 111.165 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -47.74 82.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.530000000000001 110.859 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.515 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.84 -44.95 72.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 75.420000000000002 110.932 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.56 -22.92 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.136 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -29.21 63.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.400000000000006 110.846 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -79.06 -40.08 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.864 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.0 mt -68.75 -26.02 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 75.510000000000005 111.097 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -54.46 13.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 64.5 110.887 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -26.42 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.430000000000007 110.901 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -42.65 82.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.892 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.6 -40.45 49.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.919 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -78.78 -0.34 30.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.400000000000006 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.834 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.0 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.825 0.345 . . . . 74.430000000000007 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.77 -58.48 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 51.140000000000001 111.084 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -30.17 71.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 71.150000000000006 110.935 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.88 -56.91 4.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 63.100000000000001 110.923 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.6 t -63.65 -38.04 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 70.519999999999996 111.116 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.3 -28.66 73.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 75.340000000000003 112.498 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -34.28 58.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 75.109999999999999 110.871 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.21 -58.53 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 64.430000000000007 111.105 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 73.340000000000003 110.924 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.855 0.36 . . . . 73.25 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.68 -39.19 76.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 73.439999999999998 110.875 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.99 -32.44 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 111.175 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -47.87 82.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 70.530000000000001 110.864 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.67 -45.33 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.230000000000004 110.944 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.88 -23.96 67.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 73.099999999999994 111.064 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -29.88 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.109999999999999 110.868 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -78.73 -39.36 36.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 74.239999999999995 110.891 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.23 -25.98 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 72.109999999999999 111.119 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -55.81 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 72.310000000000002 110.873 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -65.01 -26.65 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.230000000000004 110.824 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -61.92 -44.51 96.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 73.319999999999993 110.903 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -78.02 -36.53 48.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 75.329999999999998 110.92 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.78 -0.33 29.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.866 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 71.230000000000004 110.877 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.817 0.342 . . . . 64.540000000000006 111.156 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.46 -44.9 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 111.102 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -70.49 -34.42 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 71.310000000000002 110.943 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.54 -59.8 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 74.129999999999995 110.889 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.46 -49.25 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 71.030000000000001 111.168 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.61 -27.39 26.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 54.420000000000002 112.535 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -76.37 -44.43 36.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 71.349999999999994 110.925 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.94 -33.3 68.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 70.340000000000003 111.067 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.8 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 73.409999999999997 110.928 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.917 0.389 . . . . 70.129999999999995 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.41 -42.14 81.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 63.200000000000003 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.46 -32.48 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 71.439999999999998 111.17 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -47.82 82.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.934 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.84 -44.72 72.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 75.019999999999996 110.918 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.99 -23.86 67.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.120000000000005 111.105 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.63 -30.28 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.430000000000007 110.87 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -39.11 38.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 74.129999999999995 110.854 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.33 -25.99 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 72.340000000000003 111.165 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -55.45 9.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.210000000000001 110.896 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -61.29 -26.26 67.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.907 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -68.32 -47.64 67.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.888 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -43.53 53.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 71.310000000000002 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.68 -0.41 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 110.885 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.0 t60 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.299999999999997 110.833 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.86 0.362 . . . . 73.540000000000006 111.154 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.16 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.030000000000001 111.076 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -64.73 -24.51 67.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 110.897 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -56.96 4.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 75.209999999999994 110.88 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.2 t -64.27 -49.67 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 72.319999999999993 111.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.33 -26.07 50.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 52.200000000000003 112.478 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -76.14 -41.09 51.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 73.219999999999999 110.859 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.81 -51.86 30.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 111.089 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 73.019999999999996 110.884 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.865 0.364 . . . . 71.420000000000002 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.43 -42.22 81.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.825 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.46 -32.39 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 64.409999999999997 111.165 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -47.84 82.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.430000000000007 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.88 -44.75 72.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.935 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.1 -23.74 67.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.310000000000002 111.071 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -71.77 -30.1 65.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 53.020000000000003 110.818 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -78.63 -39.2 37.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.010000000000005 110.869 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.37 -25.98 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.409999999999997 111.15 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -55.58 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.915 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -26.2 53.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 110.853 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -69.21 -40.36 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -78.77 -46.53 18.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.519999999999996 110.913 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -78.82 -0.27 29.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.099999999999994 110.908 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 73.549999999999997 110.864 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.885 0.374 . . . . 72.409999999999997 111.136 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.33 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.113 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -26.74 66.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 71.200000000000003 110.888 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -78.79 -58.35 3.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 65.540000000000006 110.949 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -51.89 -53.69 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 73.200000000000003 111.109 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.26 -30.26 64.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 71.349999999999994 112.519 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.36 -42.53 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 75.430000000000007 110.907 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 -60.42 2.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 70.430000000000007 111.051 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 74.349999999999994 110.883 -179.911 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.884 0.373 . . . . 74.510000000000005 110.881 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.38 -45.43 93.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.310000000000002 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.09 -33.28 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.400000000000006 111.147 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.59 83.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 55.219999999999999 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.497 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.79 -44.63 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 110.885 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.18 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 111.094 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -72.39 -28.73 63.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.140000000000001 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -79.54 -40.82 28.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.866 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mt -68.06 -26.0 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.340000000000003 111.089 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -55.44 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 65.209999999999994 110.893 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -58.52 -26.77 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 75.510000000000005 110.851 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -36.99 79.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 64.439999999999998 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -77.07 -44.15 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 61.420000000000002 110.895 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -0.31 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.439999999999998 110.928 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.430000000000007 110.866 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.875 0.369 . . . . 74.519999999999996 111.17 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.12 -57.17 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 63.020000000000003 111.129 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -69.58 -25.18 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.049999999999997 110.899 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -79.13 -58.82 3.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 73.030000000000001 110.937 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.13 -33.97 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 111.115 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.1 -30.97 77.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 73.099999999999994 112.511 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -32.12 57.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 65.230000000000004 110.926 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -59.64 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 74.040000000000006 111.108 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.921 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.903 0.382 . . . . 60.420000000000002 110.845 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.56 -39.21 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.95 -32.42 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 111.148 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -47.88 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 71.109999999999999 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.64 -45.52 71.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.109999999999999 110.93 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.65 -24.19 67.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 62.200000000000003 111.12 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -70.91 -30.14 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.540000000000006 110.855 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -78.66 -39.07 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 75.120000000000005 110.878 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.39 -25.92 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 74.540000000000006 111.146 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -55.66 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 63.25 110.869 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -59.27 -26.22 64.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.510000000000005 110.868 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -32.41 71.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 70.040000000000006 110.951 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -75.78 -52.55 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.430000000000007 110.933 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -78.77 -0.34 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.913 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 110.834 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.53 -0.228 . . . . 71.019999999999996 112.53 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.3 -42.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 72.010000000000005 111.172 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -56.58 -27.13 57.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 75.420000000000002 110.915 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.3 -26.17 23.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 65.239999999999995 110.904 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -11.45 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 65.439999999999998 110.855 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.0 mm -51.83 -29.44 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 75.040000000000006 111.152 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.2 -15.56 32.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 74.519999999999996 112.48 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -29.93 23.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 72.109999999999999 110.939 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.61 45.47 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 74.329999999999998 112.465 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.3 -16.96 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 74.019999999999996 111.122 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.41 59.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 62.240000000000002 112.458 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 63.5 26.68 14.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 73.420000000000002 110.907 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.8 m -56.44 -38.54 56.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 60.210000000000001 111.105 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -57.28 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 64.120000000000005 111.055 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -26.09 68.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.340000000000003 110.969 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -74.79 -58.51 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 74.030000000000001 110.981 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.59 -50.38 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.319999999999993 111.099 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.76 77.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 72.129999999999995 112.5 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -76.41 -39.17 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 73.409999999999997 110.913 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.13 68.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.329999999999998 111.125 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.3 mt -58.44 -40.34 82.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 75.439999999999998 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.76 25.11 25.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 71.010000000000005 112.517 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -72.67 -171.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 75.400000000000006 110.896 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.0 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 73.209999999999994 110.916 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -54.04 -27.95 35.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 72.120000000000005 110.863 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.3 -43.65 96.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.34 -33.24 62.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 73.340000000000003 111.136 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -47.65 84.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.508 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.88 -44.72 72.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 74.540000000000006 110.895 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.19 -23.2 67.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 72.030000000000001 111.097 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -72.39 -27.95 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 73.299999999999997 110.876 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -80.7 -42.3 22.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 74.129999999999995 110.885 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.96 -26.13 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 74.409999999999997 111.14 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -55.13 10.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 110.884 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -28.68 66.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.439999999999998 110.86 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -71.29 -41.33 70.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 74.549999999999997 110.897 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -69.98 -51.94 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.861 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -78.74 -0.36 29.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 74.239999999999995 110.888 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.911 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.483 -0.247 . . . . 65.319999999999993 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.42 -41.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.797 0.332 . . . . 64.0 111.124 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -28.58 59.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 72.540000000000006 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.36 46.49 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 75.120000000000005 110.897 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.19 -43.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 64.109999999999999 110.891 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.4 mt -66.68 -24.61 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.040000000000006 111.137 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.4 17.7 4.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 75.420000000000002 112.482 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.03 -25.74 34.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 73.150000000000006 110.919 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.34 47.51 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 62.409999999999997 112.438 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 mm -51.78 -37.89 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 74.120000000000005 111.122 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.56 -34.85 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.719 . . . . 44.329999999999998 112.525 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -152.83 26.82 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.846 0.355 . . . . 74.439999999999998 110.88 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 m -54.02 -38.25 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.5 111.147 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.15 -63.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 75.420000000000002 111.125 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -56.2 -32.78 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.230000000000004 110.932 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -62.07 -58.2 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 75.030000000000001 110.967 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.68 -42.39 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 111.125 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.17 -32.33 63.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 72.549999999999997 112.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -39.93 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 75.519999999999996 110.865 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.21 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.219999999999999 111.104 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.27 -26.05 64.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 74.430000000000007 110.9 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.7 32.47 3.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 71.219999999999999 112.502 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -173.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 73.030000000000001 110.868 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 tt -71.83 -45.36 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 74.340000000000003 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -44.29 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 72.409999999999997 110.863 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.45 -44.58 76.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 64.140000000000001 110.853 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.12 -32.34 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.329999999999998 111.145 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -47.92 83.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 62.140000000000001 110.91 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -66.92 -43.88 82.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 64.420000000000002 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.72 81.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.409999999999997 111.107 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -59.69 -26.81 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 71.209999999999994 110.862 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -41.95 60.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 72.319999999999993 110.915 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.82 -24.37 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.230000000000004 111.126 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -72.76 -50.25 25.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.019999999999996 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -62.99 -29.87 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.209999999999994 110.841 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -71.11 -46.35 61.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.409999999999997 110.854 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -67.25 -49.54 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.299999999999997 110.931 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -78.8 -0.38 30.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 75.209999999999994 110.832 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.494 -0.242 . . . . 73.230000000000004 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -170.79 -74.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.79 0.329 . . . . 73.239999999999995 111.153 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -75.37 -6.75 51.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 75.099999999999994 110.921 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -147.17 38.16 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 72.530000000000001 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -158.14 -56.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 70.310000000000002 110.848 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.53 -22.08 28.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 75.510000000000005 111.122 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.66 -21.52 7.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 70.420000000000002 112.488 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -46.92 77.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 73.209999999999994 110.917 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.09 46.97 2.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 75.340000000000003 112.509 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.2 mm -53.04 -39.0 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 75.319999999999993 111.144 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.31 -54.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 71.209999999999994 112.463 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.29 27.66 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 74.219999999999999 110.904 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.34 -39.05 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 64.099999999999994 111.098 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -57.83 8.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.030000000000001 111.084 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -36.66 72.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 72.349999999999994 110.924 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -59.75 -56.92 15.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 75.409999999999997 110.939 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.1 t -52.42 -41.92 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 71.540000000000006 111.107 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.24 -39.77 97.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 55.439999999999998 112.47 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -75.45 -27.15 58.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 65.530000000000001 110.857 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.07 -53.75 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.135 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.04 -26.67 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 75.129999999999995 110.933 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.8 48.17 0.98 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 71.219999999999999 112.489 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -72.02 -61.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 75.200000000000003 110.875 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.93 -63.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 64.129999999999995 110.927 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.21 -28.67 68.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 73.510000000000005 110.877 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.85 -53.19 59.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 55.340000000000003 110.856 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.8 t -54.9 -32.44 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 70.040000000000006 111.143 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -63.28 -48.72 76.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 71.349999999999994 110.896 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.456 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -60.95 -44.47 97.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.409999999999997 110.902 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.41 66.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 72.219999999999999 111.129 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -27.0 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.310000000000002 110.84 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -81.22 -41.41 22.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 74.349999999999994 110.841 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -68.35 -25.96 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 74.519999999999996 111.111 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -48.51 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.409999999999997 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -70.03 -30.19 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.25 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -27.77 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.430000000000007 110.868 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -76.0 -53.87 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 73.150000000000006 110.905 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -0.42 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.510000000000005 110.927 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.230000000000004 110.897 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.491 -0.243 . . . . 75.25 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 p -55.65 -25.89 41.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.744 0.307 . . . . 72.219999999999999 111.119 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -27.11 68.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 74.340000000000003 110.903 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.39 79.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 74.420000000000002 110.908 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -179.06 -35.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 72.329999999999998 110.835 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.1 mt -67.16 -21.6 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 71.310000000000002 111.147 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.47 13.64 4.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 70.540000000000006 112.477 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -69.48 -24.62 63.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 74.549999999999997 110.97 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.45 47.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 75.109999999999999 112.457 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.1 mm -72.03 -39.92 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 72.420000000000002 111.12 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.89 -64.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 72.010000000000005 112.486 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -146.13 20.28 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 75.540000000000006 110.862 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.0 t -71.15 -29.4 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 52.119999999999997 111.163 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.73 -58.64 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 72.319999999999993 111.123 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.16 -30.32 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 73.209999999999994 110.923 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.74 -56.88 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 72.400000000000006 110.902 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.57 -38.02 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 65.409999999999997 111.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.23 -28.78 73.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.792 -0.718 . . . . 51.329999999999998 112.461 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.42 -34.29 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 73.540000000000006 110.882 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.14 -58.45 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 71.140000000000001 111.062 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -54.37 -27.22 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 71.439999999999998 110.936 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -89.57 -23.41 33.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 75.310000000000002 112.461 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -73.33 -75.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 73.150000000000006 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.71 24.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 73.510000000000005 110.92 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -73.03 -49.26 29.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.530000000000001 110.812 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -52.94 -58.23 7.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 74.150000000000006 110.842 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t -51.29 -32.25 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 75.129999999999995 111.136 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -48.0 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 70.349999999999994 110.868 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.511 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -69.97 -45.7 66.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 75.299999999999997 110.937 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.45 -21.8 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 61.229999999999997 111.102 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -73.1 -27.84 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 74.239999999999995 110.867 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -40.93 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 73.239999999999995 110.846 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.22 -26.01 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.200000000000003 111.129 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -55.29 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 64.019999999999996 110.882 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 ptt85 -65.93 -26.98 67.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 71.129999999999995 110.87 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -71.89 -30.01 64.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 75.510000000000005 110.879 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -75.62 -55.24 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.510000000000005 110.917 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -78.73 -0.36 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.409999999999997 110.898 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 75.400000000000006 110.866 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.481 -0.248 . . . . 64.019999999999996 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.93 -41.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 43.549999999999997 111.131 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -57.85 -25.84 61.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 75.530000000000001 110.932 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.63 -26.0 23.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 53.530000000000001 110.852 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -79.71 -11.69 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.109999999999999 110.84 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt -51.36 -38.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.409999999999997 111.151 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.43 -21.44 10.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 50.409999999999997 112.481 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.97 -3.92 55.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 71.129999999999995 110.934 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.77 42.57 0.48 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 75.310000000000002 112.523 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 63.2 mt -51.73 -36.28 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 72.420000000000002 111.127 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.79 -21.52 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 63.219999999999999 112.495 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.36 -40.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 74.430000000000007 110.911 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 m -50.08 -32.38 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 75.349999999999994 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.74 -68.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 71.030000000000001 111.105 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.14 -39.83 69.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.150000000000006 110.95 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -50.51 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 70.420000000000002 110.92 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.9 t -61.71 -38.44 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 72.219999999999999 111.18 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.94 -32.84 76.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 64.299999999999997 112.459 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.26 -38.84 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 75.25 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.79 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 52.310000000000002 111.108 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.66 -25.93 67.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 110.93 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.06 28.09 4.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 74.230000000000004 112.505 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -173.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 73.430000000000007 110.928 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.28 -28.38 67.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 71.299999999999997 110.87 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 p -52.03 -45.75 64.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 110.88 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.43 -42.02 81.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.310000000000002 110.867 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.59 -32.48 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 75.430000000000007 111.113 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -47.82 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.540000000000006 110.922 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.81 -44.99 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 75.030000000000001 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.82 67.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 71.219999999999999 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -71.53 -30.09 65.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 70.239999999999995 110.85 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -78.7 -39.18 37.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 73.209999999999994 110.926 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.5 mt -69.29 -25.94 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 64.439999999999998 111.153 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -55.33 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 65.109999999999999 110.88 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -61.49 -26.42 67.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.540000000000006 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -69.81 -30.48 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.450000000000003 110.889 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -75.95 -53.59 8.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 72.319999999999993 110.892 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.78 -0.33 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.439999999999998 110.851 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 73.150000000000006 110.876 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.455 -0.258 . . . . 73.200000000000003 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m 65.45 13.87 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 73.439999999999998 111.168 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -76.01 -32.65 59.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 74.409999999999997 110.914 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.42 46.56 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 62.439999999999998 110.854 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -161.99 -43.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.329999999999998 110.87 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.15 -25.57 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 64.120000000000005 111.102 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.64 -20.05 8.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 75.030000000000001 112.453 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -43.58 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 72.299999999999997 110.939 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.92 51.74 2.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 75.530000000000001 112.437 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.23 -71.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 74.430000000000007 111.085 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -180.0 -31.75 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 75.019999999999996 112.536 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -92.65 -28.26 16.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 73.019999999999996 110.91 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -51.83 -39.02 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.530000000000001 111.075 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -51.73 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 75.409999999999997 111.086 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -33.68 74.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.239999999999995 110.926 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -51.87 53.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 75.409999999999997 110.922 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.1 t -52.12 -44.56 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 111.14 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.21 -37.4 59.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 74.450000000000003 112.514 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -70.91 -41.98 70.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 73.340000000000003 110.845 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 -31.37 72.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 75.530000000000001 111.136 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.6 -26.0 41.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 63.210000000000001 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.07 53.14 0.81 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.71 -0.757 . . . . 73.140000000000001 112.492 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.19 20.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 75.439999999999998 110.895 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.16 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 110.913 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 t -52.09 -45.65 64.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.040000000000006 110.832 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.48 -42.07 81.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.835 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.58 -32.42 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 63.25 111.13 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -47.85 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 110.88 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.88 -44.77 72.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.129999999999995 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -23.8 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 111.109 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -71.69 -30.11 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 70.25 110.832 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -78.66 -39.21 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 74.310000000000002 110.883 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.25 -26.02 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 70.549999999999997 111.149 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -53.99 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.430000000000007 110.907 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -26.22 64.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 72.230000000000004 110.878 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -48.64 80.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 72.450000000000003 110.915 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -34.17 53.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 75.340000000000003 110.859 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -78.74 -0.34 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 72.409999999999997 110.91 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.0 t60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 73.099999999999994 110.835 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.501 -0.24 . . . . 75.010000000000005 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.64 -40.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 74.420000000000002 111.108 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -64.52 -26.39 68.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.25 101.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 74.230000000000004 110.848 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.69 -33.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.902 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.38 -12.0 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 71.340000000000003 111.15 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.12 31.57 1.18 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.686 -0.768 . . . . 73.439999999999998 112.448 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -155.93 -40.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 62.32 110.918 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.06 4.0 67.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 73.340000000000003 112.512 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -51.59 -74.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.387 . . . . 74.420000000000002 111.116 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.18 -30.15 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 74.120000000000005 112.492 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -92.73 -44.47 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 75.450000000000003 110.882 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 t -63.67 -28.47 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 73.010000000000005 111.144 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.51 -57.28 9.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 111.083 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -64.24 -25.05 67.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 73.439999999999998 110.938 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -77.4 -58.72 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 75.540000000000006 110.907 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.9 t -56.09 -54.06 31.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 73.120000000000005 111.125 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.37 60.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 74.140000000000001 112.489 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -76.74 -43.57 36.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 73.349999999999994 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.64 -30.9 67.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 70.329999999999998 111.071 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 mt -56.03 -24.79 41.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 75.420000000000002 110.915 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.14 56.66 0.73 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 64.030000000000001 112.49 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.03 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 72.329999999999998 110.905 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tp 44.91 53.71 7.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 74.349999999999994 110.947 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -167.94 -38.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.400000000000006 110.838 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.39 -38.14 71.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 110.891 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.0 t -67.13 -32.35 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 74.310000000000002 111.14 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -47.81 82.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 71.239999999999995 110.941 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.99 -44.96 71.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.140000000000001 110.945 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -23.06 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 44.229999999999997 111.098 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 t -72.37 -29.46 63.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.329999999999998 110.833 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -78.88 -39.96 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 74.420000000000002 110.917 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.2 mt -68.78 -26.02 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.319999999999993 111.089 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -55.42 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.230000000000004 110.86 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -26.19 68.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 74.510000000000005 110.873 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -69.42 -38.87 78.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.150000000000006 110.893 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -46.73 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 74.439999999999998 110.896 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.71 -0.33 29.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.129999999999995 110.903 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 64.0 110.879 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.508 -0.237 . . . . 53.43 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.88 -40.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.731 0.301 . . . . 74.230000000000004 111.134 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 36.6 p90 -52.63 -37.68 58.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 75.099999999999994 110.971 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.37 102.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 61.229999999999997 110.866 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.9 -39.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 54.130000000000003 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 77.3 mt -64.19 -26.24 39.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 72.200000000000003 111.097 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.64 -20.94 9.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 63.100000000000001 112.478 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -52.13 -41.75 62.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 72.299999999999997 110.89 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.64 48.55 1.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 73.120000000000005 112.499 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.21 -58.61 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 74.200000000000003 111.094 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.65 -25.88 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 73.019999999999996 112.498 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.39 26.13 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 74.400000000000006 110.873 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.5 m -56.61 -39.04 60.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.209999999999994 111.176 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -54.66 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 62.439999999999998 111.091 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.45 -26.22 68.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.400000000000006 110.912 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -75.8 -58.52 3.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 75.409999999999997 110.908 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.8 t -53.67 -49.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 75.219999999999999 111.143 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.05 -30.99 79.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 61.350000000000001 112.494 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -76.35 -38.65 55.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 63.520000000000003 110.91 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.76 -52.93 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 111.091 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.78 -26.4 65.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 63.520000000000003 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.58 21.27 43.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 71.519999999999996 112.463 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.77 -26.88 63.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 75.120000000000005 110.875 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.79 179.2 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 74.049999999999997 110.91 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t 74.65 -66.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 71.329999999999998 110.844 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.95 -43.82 63.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.420000000000002 110.863 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.21 -32.39 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 111.133 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -47.94 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.881 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.74 -47.61 65.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.030000000000001 110.931 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.53 -22.78 66.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 72.439999999999998 111.139 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -72.74 -29.24 63.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 110.86 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -78.79 -39.8 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 72.310000000000002 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.98 -25.96 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.019999999999996 111.139 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -55.27 13.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 71.400000000000006 110.886 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -26.3 68.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.349999999999994 110.846 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -68.0 -42.86 80.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.540000000000006 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.89 -42.47 27.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.901 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.74 -0.35 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 110.907 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.7 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.519999999999996 110.868 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.485 -0.246 . . . . 65.409999999999997 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.54 -41.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 73.129999999999995 111.191 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -73.06 -29.23 62.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.340000000000003 110.943 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.4 79.73 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 70.430000000000007 110.886 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.45 -42.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 73.439999999999998 110.896 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.28 -26.96 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 111.103 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.3 -19.53 7.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 52.5 112.488 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -29.32 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 75.420000000000002 110.878 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.75 50.11 1.85 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 61.119999999999997 112.498 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.4 mt -53.04 -36.48 24.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.86 0.362 . . . . 74.439999999999998 111.073 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.6 -21.5 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 73.409999999999997 112.49 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.38 -40.21 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 75.120000000000005 110.887 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 m -50.01 -32.39 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.099999999999994 111.127 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.04 -69.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 73.239999999999995 111.126 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -52.4 -34.05 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.109999999999999 110.907 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -55.88 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.25 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.63 -48.13 81.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 65.209999999999994 111.121 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.92 -35.01 46.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 72.0 112.531 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -76.29 -37.24 57.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 75.409999999999997 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -27.36 62.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 63.229999999999997 111.068 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.4 mt -56.4 -36.37 68.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.89 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.64 22.27 17.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 73.549999999999997 112.501 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -26.87 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 71.230000000000004 110.914 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tt 74.33 -66.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 110.934 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.8 m -51.95 -48.82 64.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.530000000000001 110.894 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -57.0 -45.1 83.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.863 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.8 -32.33 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 71.239999999999995 111.174 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -47.93 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 64.239999999999995 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.95 -44.63 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 110.953 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -23.27 67.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 64.310000000000002 111.072 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -72.34 -29.67 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.120000000000005 110.835 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -39.55 35.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 74.450000000000003 110.914 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -69.06 -25.96 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 72.129999999999995 111.106 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -55.34 9.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.329999999999998 110.835 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -62.01 -26.45 68.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 71.450000000000003 110.84 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -40.98 87.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 63.43 110.875 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -42.45 36.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 72.209999999999994 110.921 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -0.28 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.899 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 72.420000000000002 110.879 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.478 -0.249 . . . . 65.219999999999999 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.17 -42.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 72.319999999999993 111.161 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -70.16 -25.94 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 72.299999999999997 110.928 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.03 -25.1 32.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 70.310000000000002 110.868 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -79.56 -9.46 59.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.864 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.8 mt -51.39 -40.7 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.219999999999999 111.114 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.13 -19.7 11.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.84 -0.695 . . . . 70.219999999999999 112.482 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -44.71 88.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 74.230000000000004 110.9 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.65 42.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 62.530000000000001 112.489 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.2 tt -51.78 -32.61 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 73.530000000000001 111.14 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.61 -75.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 45.32 112.478 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.2 19.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 73.400000000000006 110.84 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 t -71.17 -32.4 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.010000000000005 111.126 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.55 -55.51 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 111.106 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -25.7 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.430000000000007 110.922 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -77.43 -58.59 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 74.430000000000007 110.888 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.0 t -55.11 -47.95 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 73.450000000000003 111.112 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.53 -31.88 81.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 73.200000000000003 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -76.57 -38.56 54.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.230000000000004 110.926 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -57.56 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 111.075 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp -68.36 -26.24 65.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.899 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.71 19.31 52.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.68 -0.772 . . . . 70.219999999999999 112.5 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.55 -173.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 65.030000000000001 110.929 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.38 162.55 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.040000000000006 110.884 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 74.97 -65.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 73.450000000000003 110.881 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -52.22 -43.17 64.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 61.299999999999997 110.89 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.45 -32.36 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 64.150000000000006 111.102 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -47.85 82.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.918 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.9 -46.99 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.200000000000003 110.918 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -22.96 67.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.430000000000007 111.122 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.51 -29.27 63.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 75.030000000000001 110.847 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -78.95 -40.05 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 110.815 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.84 -25.95 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 70.310000000000002 111.172 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.88 -56.03 15.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.519999999999996 110.866 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -61.08 -26.29 67.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.861 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -43.14 73.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 72.420000000000002 110.904 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -77.35 -43.07 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.230000000000004 110.913 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -0.32 29.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 75.129999999999995 110.914 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 73.319999999999993 110.835 179.887 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.458 -0.257 . . . . 65.329999999999998 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -25.88 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 65.239999999999995 111.165 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -70.17 -26.76 64.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 75.340000000000003 110.913 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.22 101.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 70.140000000000001 110.864 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -179.51 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 70.109999999999999 110.903 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.0 mm -67.45 -12.6 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 64.239999999999995 111.104 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.76 -18.81 3.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 71.310000000000002 112.534 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -70.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 63.020000000000003 110.913 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.39 93.4 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 73.219999999999999 112.475 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.5 tp -164.03 -35.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 73.340000000000003 111.16 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.28 -29.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.735 . . . . 72.140000000000001 112.535 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -94.14 28.05 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 72.200000000000003 110.905 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.98 -34.08 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 111.082 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -54.88 25.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 111.101 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -65.48 -26.29 67.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 71.140000000000001 110.911 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -77.33 -58.7 3.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 74.519999999999996 110.868 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.84 -48.91 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 75.430000000000007 111.142 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.99 -31.69 81.57 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 72.540000000000006 112.515 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -76.66 -38.65 54.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 74.409999999999997 110.872 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.95 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 73.310000000000002 111.112 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.71 -31.98 58.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 71.530000000000001 110.896 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.24 -19.77 68.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 73.530000000000001 112.449 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -171.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 73.450000000000003 110.915 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -166.27 -43.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 71.219999999999999 110.911 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -30.51 26.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 75.430000000000007 110.822 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -53.47 -58.24 7.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.129999999999995 110.851 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.34 -31.89 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.230000000000004 111.13 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.12 -40.89 95.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.43 110.858 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.526 ' N ' HE21 ' A' ' 29' ' ' GLN . 3.0 mm-40 -68.03 -42.97 79.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.400000000000006 110.928 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.92 94.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 65.299999999999997 111.152 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -23.88 63.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 73.450000000000003 110.855 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -81.08 -43.57 19.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 74.340000000000003 110.827 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.7 mt -66.54 -26.01 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.439999999999998 111.123 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -53.52 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 74.409999999999997 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -69.31 -26.25 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -69.31 -47.13 65.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.030000000000001 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -73.58 -45.9 50.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 71.530000000000001 110.951 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.77 -0.32 29.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 73.010000000000005 110.901 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 75.329999999999998 110.887 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.499 -0.241 . . . . 61.299999999999997 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m 65.5 13.82 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 75.129999999999995 111.12 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -75.99 -32.94 59.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 73.209999999999994 110.924 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.36 102.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 73.120000000000005 110.899 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -178.95 -35.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 63.119999999999997 110.869 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.7 mp -67.16 -18.15 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 72.019999999999996 111.124 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.76 -36.09 5.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 73.109999999999999 112.5 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -82.46 -35.85 27.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 75.530000000000001 110.927 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.9 101.86 0.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 64.519999999999996 112.49 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 tp -164.59 -36.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 75.329999999999998 111.097 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.53 -26.7 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 75.420000000000002 112.508 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -93.68 22.18 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 72.209999999999994 110.894 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 t -66.94 -30.28 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 111.114 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 -59.04 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 72.299999999999997 111.12 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -62.99 -29.84 71.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 61.350000000000001 110.93 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -73.18 -57.26 4.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 64.140000000000001 110.925 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.25 -37.95 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 74.120000000000005 111.144 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.81 -28.91 73.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 65.530000000000001 112.498 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -34.93 58.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 75.319999999999993 110.921 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.14 -47.43 51.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.109999999999999 111.111 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.8 mt -55.14 -26.51 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 54.329999999999998 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.61 -44.26 4.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 65.239999999999995 112.525 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.78 -59.67 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 73.349999999999994 110.908 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 tp 65.42 62.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 75.200000000000003 110.903 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t -172.26 -37.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.816 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.42 -39.14 75.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.109999999999999 110.871 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.07 -32.42 57.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 75.129999999999995 111.153 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -47.79 82.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.040000000000006 110.927 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.68 -45.44 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 72.140000000000001 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.85 -23.92 67.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 71.129999999999995 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -29.89 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.430000000000007 110.883 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -78.72 -39.43 36.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 75.219999999999999 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.11 -26.03 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 111.141 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -55.96 11.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.120000000000005 110.891 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -64.63 -26.75 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 74.400000000000006 110.89 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -71.96 -41.9 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 110.904 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -69.84 -50.72 39.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.78 -0.35 30.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 73.0 110.934 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 110.824 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.467 -0.253 . . . . 71.109999999999999 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.43 13.86 9.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 111.163 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -75.97 -32.96 59.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 75.230000000000004 110.949 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.0 t0 64.24 14.84 8.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.329999999999998 110.878 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -11.86 59.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 73.25 110.873 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.65 -30.05 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 72.310000000000002 111.141 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.1 22.12 18.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 75.349999999999994 112.499 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.85 20.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 71.239999999999995 110.874 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.49 85.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 63.439999999999998 112.491 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 tp -164.78 -36.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 72.430000000000007 111.153 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.36 -30.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 74.319999999999993 112.492 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -74.35 -26.21 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 71.409999999999997 110.868 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.8 t -65.43 -27.11 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 71.340000000000003 111.129 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -60.07 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 60.409999999999997 111.089 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -25.84 68.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 75.430000000000007 110.888 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -76.07 -58.55 3.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 75.239999999999995 110.915 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -59.04 -43.51 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 65.109999999999999 111.101 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.02 -32.38 34.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 72.439999999999998 112.487 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -44.49 34.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 73.25 110.9 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.99 75.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 63.509999999999998 111.051 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.67 -30.68 22.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 75.129999999999995 110.942 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.52 59.04 0.7 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 62.140000000000001 112.434 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.67 -39.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 74.219999999999999 110.916 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.99 28.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 74.340000000000003 110.916 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -39.52 73.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 75.439999999999998 110.849 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -58.66 -51.3 70.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.430000000000007 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.34 -32.45 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 75.540000000000006 111.174 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -47.63 85.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 62.43 110.869 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.513 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -69.07 -44.96 71.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 65.140000000000001 110.955 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.37 -22.47 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 111.085 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.09 -27.79 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 61.439999999999998 110.845 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -79.66 -41.11 27.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 75.439999999999998 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.7 mt -68.0 -26.05 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -54.56 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 64.310000000000002 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.52 -26.37 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 73.329999999999998 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -29.63 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.5 110.902 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -77.77 -50.42 12.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 75.200000000000003 110.87 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -78.84 -0.28 29.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.901 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.6 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 73.519999999999996 110.862 179.831 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.471 -0.251 . . . . 75.120000000000005 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.27 -40.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.73 0.3 . . . . 71.349999999999994 111.078 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -62.24 2.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 75.530000000000001 110.905 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 t70 64.29 14.88 9.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 75.150000000000006 110.852 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -12.15 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.210000000000001 110.859 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.33 -31.44 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.530000000000001 111.133 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.37 -16.99 7.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 44.549999999999997 112.457 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.76 -24.85 58.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 74.099999999999994 110.911 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.19 -0.08 44.25 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.75 -0.738 . . . . 70.099999999999994 112.487 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.2 tt -165.12 139.65 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 75.040000000000006 111.135 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.83 -54.5 0.72 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 75.420000000000002 112.443 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.35 13.97 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 55.329999999999998 110.828 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.1 t -72.1 -25.94 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.409999999999997 111.116 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 111.107 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.9 -28.52 69.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 75.530000000000001 110.903 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -74.31 -57.39 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 71.510000000000005 110.908 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.96 -38.04 81.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 65.209999999999994 111.11 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.3 -28.56 73.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 72.140000000000001 112.465 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -76.66 -34.35 58.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 74.430000000000007 110.875 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.22 -57.7 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 51.229999999999997 111.07 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.6 pp -55.27 -26.34 39.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.430000000000007 110.893 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.82 -31.76 25.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 62.32 112.468 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -170.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.099999999999994 110.891 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp -166.29 75.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 74.430000000000007 110.924 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.28 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 71.140000000000001 110.873 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.39 -45.22 94.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 64.230000000000004 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.2 t -64.42 -33.22 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 73.219999999999999 111.124 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -47.61 83.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 72.25 110.854 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.519 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.79 -44.73 72.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 75.540000000000006 110.874 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.87 -23.33 67.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 111.122 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -72.25 -28.61 63.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.200000000000003 110.86 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -40.98 27.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.140000000000001 110.899 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.06 -25.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 72.25 111.157 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -56.07 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 62.119999999999997 110.874 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -62.12 -26.67 68.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.867 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -71.99 -37.8 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.877 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -47.35 16.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.150000000000006 110.94 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -78.74 -0.36 30.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 72.310000000000002 110.896 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 73.209999999999994 110.868 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.534 -0.226 . . . . 70.040000000000006 112.534 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m 65.48 13.87 9.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 74.519999999999996 111.108 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -76.05 -32.67 59.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 74.510000000000005 110.891 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.28 20.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 71.549999999999997 110.875 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -80.22 -16.99 53.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 72.450000000000003 110.875 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.5 mt -52.42 -28.88 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.219999999999999 111.163 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.08 -19.32 26.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 71.439999999999998 112.554 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -38.69 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 70.349999999999994 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.35 50.38 1.88 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 70.230000000000004 112.499 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.9 mt -51.72 -43.27 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 74.219999999999999 111.127 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.52 -24.94 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 74.329999999999998 112.514 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -146.19 26.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 74.129999999999995 110.84 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.5 m -56.66 -39.06 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.420000000000002 111.151 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.36 -54.88 26.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 60.420000000000002 111.114 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -26.21 68.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 74.019999999999996 110.897 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -75.61 -58.52 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 75.049999999999997 110.951 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.6 t -53.47 -50.72 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 73.430000000000007 111.1 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.07 -30.74 76.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 72.209999999999994 112.488 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -76.41 -39.27 54.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 61.409999999999997 110.896 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -60.1 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.030000000000001 111.066 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.29 -29.38 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.918 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.02 33.49 5.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 63.130000000000003 112.511 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -68.51 -65.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 62.549999999999997 110.886 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -167.61 155.03 8.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 74.299999999999997 110.929 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER 76.4 -53.76 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 72.010000000000005 110.83 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.16 -50.3 74.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.549999999999997 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.55 -32.34 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 74.040000000000006 111.165 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -47.74 82.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.530000000000001 110.859 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.515 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.84 -44.95 72.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 75.420000000000002 110.932 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.56 -22.92 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.136 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -29.21 63.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.400000000000006 110.846 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -79.06 -40.08 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.864 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.0 mt -68.75 -26.02 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 75.510000000000005 111.097 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -54.46 13.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 64.5 110.887 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -26.42 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 73.430000000000007 110.901 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -42.65 82.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 110.892 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.6 -40.45 49.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 110.919 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -78.78 -0.34 30.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.400000000000006 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.834 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.497 -0.241 . . . . 62.539999999999999 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -36.2 67.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 74.430000000000007 111.172 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -60.96 -36.93 80.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 72.409999999999997 110.931 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -178.42 99.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.439999999999998 110.884 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.79 -44.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.430000000000007 110.848 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.18 -29.26 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 73.420000000000002 111.143 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.31 -20.16 9.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 64.109999999999999 112.46 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -31.21 71.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 73.329999999999998 110.944 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.29 -43.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 72.310000000000002 112.508 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 179.38 -30.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.368 . . . . 75.010000000000005 111.126 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.41 -30.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 71.140000000000001 112.512 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -146.95 20.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 65.510000000000005 110.884 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.0 t -71.13 -29.5 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 74.430000000000007 111.146 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.77 -58.48 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 51.140000000000001 111.084 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -30.17 71.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 71.150000000000006 110.935 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.88 -56.91 4.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 63.100000000000001 110.923 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.6 t -63.65 -38.04 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 70.519999999999996 111.116 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.3 -28.66 73.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 75.340000000000003 112.498 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -34.28 58.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 75.109999999999999 110.871 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.21 -58.53 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 64.430000000000007 111.105 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 pp -56.88 -30.14 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 73.340000000000003 110.924 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.73 21.16 26.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 74.25 112.499 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -72.13 -170.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 73.310000000000002 110.876 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -166.39 71.64 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.902 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.22 -35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.893 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.68 -39.19 76.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 73.439999999999998 110.875 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.99 -32.44 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 111.175 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -47.87 82.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 70.530000000000001 110.864 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.67 -45.33 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 73.230000000000004 110.944 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.88 -23.96 67.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 73.099999999999994 111.064 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -29.88 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.109999999999999 110.868 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -78.73 -39.36 36.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 74.239999999999995 110.891 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.23 -25.98 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 72.109999999999999 111.119 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -55.81 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 72.310000000000002 110.873 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -65.01 -26.65 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 74.230000000000004 110.824 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -61.92 -44.51 96.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 73.319999999999993 110.903 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -78.02 -36.53 48.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 75.329999999999998 110.92 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.78 -0.33 29.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 74.230000000000004 110.866 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 71.230000000000004 110.877 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.456 -0.258 . . . . 71.040000000000006 112.456 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.28 -42.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.8 0.333 . . . . 72.209999999999994 111.13 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -70.24 -64.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 65.040000000000006 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.45 102.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 75.540000000000006 110.833 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.54 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.049999999999997 110.885 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.68 -32.49 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 111.11 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.32 -19.66 9.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 70.510000000000005 112.475 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -47.35 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 73.219999999999999 110.919 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.93 70.98 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 74.010000000000005 112.487 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 tt -54.16 -26.99 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 72.409999999999997 111.162 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.52 -10.56 1.71 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.795 -0.717 . . . . 73.109999999999999 112.519 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.31 -42.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 74.409999999999997 110.871 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 p -51.01 -45.69 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 64.540000000000006 111.156 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.46 -44.9 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 111.102 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -70.49 -34.42 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 71.310000000000002 110.943 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.54 -59.8 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 74.129999999999995 110.889 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.46 -49.25 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 71.030000000000001 111.168 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.61 -27.39 26.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 54.420000000000002 112.535 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -76.37 -44.43 36.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 71.349999999999994 110.925 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.94 -33.3 68.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 70.340000000000003 111.067 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.8 mt -52.31 -43.88 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 73.409999999999997 110.928 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.4 42.36 1.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 74.439999999999998 112.504 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -72.54 -64.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 53.200000000000003 110.895 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.06 -72.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 73.409999999999997 110.918 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.1 p -52.02 -45.65 64.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.129999999999995 110.868 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.41 -42.14 81.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 63.200000000000003 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.46 -32.48 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 71.439999999999998 111.17 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -47.82 82.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.934 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.84 -44.72 72.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 75.019999999999996 110.918 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.99 -23.86 67.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.120000000000005 111.105 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.63 -30.28 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.430000000000007 110.87 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -39.11 38.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 74.129999999999995 110.854 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.33 -25.99 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 72.340000000000003 111.165 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -55.45 9.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.210000000000001 110.896 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -61.29 -26.26 67.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.907 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -68.32 -47.64 67.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.888 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -43.53 53.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 71.310000000000002 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.68 -0.41 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 110.885 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.0 t60 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.299999999999997 110.833 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.513 -0.235 . . . . 44.240000000000002 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 65.49 13.82 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 74.540000000000006 111.094 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -75.98 -33.26 59.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 74.219999999999999 110.908 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.16 19.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 74.150000000000006 110.849 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.15 -16.48 54.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.85 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.7 mt -51.53 -30.03 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 75.349999999999994 111.092 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.84 -4.28 9.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 75.239999999999995 112.471 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -82.01 -4.21 56.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 60.109999999999999 110.907 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.69 40.32 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 72.430000000000007 112.483 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.8 mt -152.52 18.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 75.010000000000005 111.079 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.25 -45.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 73.340000000000003 112.474 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -145.91 -41.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 74.219999999999999 110.834 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.3 -25.51 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 111.154 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.16 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.030000000000001 111.076 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -64.73 -24.51 67.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 110.897 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -56.96 4.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 75.209999999999994 110.88 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.2 t -64.27 -49.67 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 72.319999999999993 111.16 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.33 -26.07 50.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 52.200000000000003 112.478 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -76.14 -41.09 51.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 73.219999999999999 110.859 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.81 -51.86 30.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 74.129999999999995 111.089 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -71.98 -28.86 63.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 73.019999999999996 110.884 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.46 19.66 51.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 75.299999999999997 112.472 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.72 -67.59 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.855 0.359 . . . . 71.510000000000005 110.858 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.19 -72.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 74.209999999999994 110.922 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 p -52.07 -45.54 64.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 71.420000000000002 110.849 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.43 -42.22 81.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.825 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.46 -32.39 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 64.409999999999997 111.165 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -47.84 82.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.430000000000007 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.88 -44.75 72.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 74.129999999999995 110.935 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.1 -23.74 67.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 75.310000000000002 111.071 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -71.77 -30.1 65.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 53.020000000000003 110.818 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -78.63 -39.2 37.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.010000000000005 110.869 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.37 -25.98 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.409999999999997 111.15 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -55.58 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.219999999999999 110.915 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -26.2 53.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 75.109999999999999 110.853 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -69.21 -40.36 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -78.77 -46.53 18.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.519999999999996 110.913 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -78.82 -0.27 29.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.099999999999994 110.908 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 73.549999999999997 110.864 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.508 -0.237 . . . . 75.140000000000001 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 73.2 -0.79 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 71.439999999999998 111.127 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -79.15 -30.84 43.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 110.911 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -178.37 99.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 73.109999999999999 110.872 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.87 -45.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 65.519999999999996 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.5 mt -67.23 -24.18 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 74.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.68 10.53 5.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.697 -0.763 . . . . 74.430000000000007 112.486 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -64.82 -24.63 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 73.230000000000004 110.864 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.61 46.25 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 55.530000000000001 112.483 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -57.6 -72.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 75.420000000000002 111.087 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.84 -31.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 74.109999999999999 112.48 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -92.69 -32.66 14.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 74.340000000000003 110.899 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 m -52.44 -37.67 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 72.409999999999997 111.136 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.33 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.113 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -26.74 66.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 71.200000000000003 110.888 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -78.79 -58.35 3.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 65.540000000000006 110.949 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.6 t -51.89 -53.69 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 73.200000000000003 111.109 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.26 -30.26 64.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 71.349999999999994 112.519 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.36 -42.53 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 75.430000000000007 110.907 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 -60.42 2.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 70.430000000000007 111.051 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 pp -56.86 -29.39 62.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 74.349999999999994 110.883 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.02 -26.33 53.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 54.200000000000003 112.49 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -26.42 65.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.875 0.369 . . . . 64.120000000000005 110.885 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 45.86 75.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 72.25 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.97 -35.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.881 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.38 -45.43 93.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.310000000000002 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.09 -33.28 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.400000000000006 111.147 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.59 83.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 55.219999999999999 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.497 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.79 -44.63 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 110.885 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.18 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 111.094 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -72.39 -28.73 63.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.140000000000001 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -79.54 -40.82 28.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.866 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mt -68.06 -26.0 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.340000000000003 111.089 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -55.44 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 65.209999999999994 110.893 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -58.52 -26.77 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 75.510000000000005 110.851 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -36.99 79.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 64.439999999999998 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -77.07 -44.15 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 61.420000000000002 110.895 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -0.31 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 75.439999999999998 110.928 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.430000000000007 110.866 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.489 -0.245 . . . . 62.219999999999999 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.13 -38.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 72.319999999999993 111.132 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -55.1 -56.33 21.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 73.310000000000002 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.23 101.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 54.539999999999999 110.911 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.43 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 75.319999999999993 110.886 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.0 mp -67.35 -12.84 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 71.239999999999995 111.112 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.2 -34.02 4.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 70.239999999999995 112.514 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -33.26 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 75.409999999999997 110.855 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.52 100.37 0.33 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.737 . . . . 74.540000000000006 112.478 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 tp -163.87 -36.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 62.539999999999999 111.165 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.07 31.3 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.754 . . . . 75.010000000000005 112.46 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -145.54 24.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 74.5 110.881 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p -57.39 -30.51 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 74.519999999999996 111.17 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.12 -57.17 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 63.020000000000003 111.129 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -69.58 -25.18 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.049999999999997 110.899 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -79.13 -58.82 3.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 73.030000000000001 110.937 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.2 t -62.13 -33.97 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 111.115 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.1 -30.97 77.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 73.099999999999994 112.511 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -32.12 57.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 65.230000000000004 110.926 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -59.64 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 74.040000000000006 111.108 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.55 -26.01 40.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.921 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.02 -30.71 30.74 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.686 -0.769 . . . . 74.450000000000003 112.517 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -170.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 74.219999999999999 110.889 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 tp -166.62 67.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 74.040000000000006 110.879 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.79 -36.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 60.420000000000002 110.845 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.56 -39.21 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.95 -32.42 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 111.148 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -47.88 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 71.109999999999999 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.64 -45.52 71.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.109999999999999 110.93 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.65 -24.19 67.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 62.200000000000003 111.12 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -70.91 -30.14 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 74.540000000000006 110.855 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -78.66 -39.07 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 75.120000000000005 110.878 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.39 -25.92 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 74.540000000000006 111.146 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -55.66 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 63.25 110.869 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -59.27 -26.22 64.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 74.510000000000005 110.868 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -32.41 71.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 70.040000000000006 110.951 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -75.78 -52.55 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 72.430000000000007 110.933 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -78.77 -0.34 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.913 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 110.834 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.8 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.869 0.366 . . . . 60.21 111.105 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -57.28 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 60.54 111.055 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -26.09 68.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.34 110.969 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -74.79 -58.51 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 72.15 110.981 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 13' ' ' VAL . 93.9 t -53.59 -50.38 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.32 111.099 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.76 77.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 72.13 112.5 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -76.41 -39.17 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 65.23 110.913 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.13 68.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.125 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 17' ' ' VAL . 38.3 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 60.51 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.859 0.361 . . . . 64.24 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.3 -43.65 96.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.34 -33.24 62.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 72.45 111.136 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -47.65 84.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.88 -44.72 72.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 74.54 110.895 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.19 -23.2 67.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 71.22 111.097 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -72.39 -27.95 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 73.3 110.876 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -80.7 -42.3 22.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 64.31 110.885 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.96 -26.13 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.51 111.14 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -55.13 10.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 54.22 110.884 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -28.68 66.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.44 110.86 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -71.29 -41.33 70.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.897 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -69.98 -51.94 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 70.13 110.861 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -78.74 -0.36 29.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 53.42 110.888 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.911 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.57 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.5 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.841 0.353 . . . . 31.33 111.147 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.15 -63.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 61.23 111.125 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -56.2 -32.78 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 62.4 110.932 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -62.07 -58.2 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 75.03 110.967 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 13' ' ' VAL . 56.0 t -56.68 -42.39 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.125 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.17 -32.33 63.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 72.55 112.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -39.93 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 75.52 110.865 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.21 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.22 111.104 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.7 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 61.24 110.9 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.881 0.372 . . . . 64.31 110.863 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.45 -44.58 76.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 54.22 110.853 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.12 -32.34 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.145 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -47.92 83.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 61.11 110.91 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -66.92 -43.88 82.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.72 81.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.41 111.107 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -59.69 -26.81 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 71.21 110.862 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -41.95 60.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 54.53 110.915 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.82 -24.37 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 61.33 111.126 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -72.76 -50.25 25.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -62.99 -29.87 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.33 110.841 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -71.11 -46.35 61.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.14 110.854 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -67.25 -49.54 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.931 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -78.8 -0.38 30.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.832 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.9 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.845 0.355 . . . . 41.43 111.098 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -57.83 8.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 54.55 111.084 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -36.66 72.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.924 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -59.75 -56.92 15.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.939 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 13' ' ' VAL . 76.1 t -52.42 -41.92 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 71.54 111.107 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.24 -39.77 97.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 55.44 112.47 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -75.45 -27.15 58.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 65.53 110.857 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.07 -53.75 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.135 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 71.44 110.933 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.872 0.368 . . . . 53.04 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.85 -53.19 59.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 55.34 110.856 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.8 t -54.9 -32.44 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 70.04 111.143 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -63.28 -48.72 76.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 71.35 110.896 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -44.47 97.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.41 110.902 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.41 66.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 52.14 111.129 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -27.0 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.84 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -81.22 -41.41 22.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.841 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -68.35 -25.96 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 34.04 111.111 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -48.51 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -70.03 -30.19 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -27.77 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 70.2 110.868 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -76.0 -53.87 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 63.15 110.905 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -0.42 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.51 110.927 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.897 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.0 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.871 0.367 . . . . 51.01 111.163 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.73 -58.64 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 70.43 111.123 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.16 -30.32 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.923 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.74 -56.88 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 71.25 110.902 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 13' ' ' VAL . 88.2 t -63.57 -38.02 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.138 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -64.23 -28.78 73.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.792 -0.718 . . . . 51.33 112.461 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.42 -34.29 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 73.54 110.882 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.14 -58.45 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 52.01 111.062 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.462 HD23 HG12 ' A' ' 17' ' ' VAL . 4.6 pp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 63.34 110.936 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.864 0.364 . . . . 75.53 110.812 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -52.94 -58.23 7.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.842 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t -51.29 -32.25 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.136 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -48.0 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 40.35 110.868 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.97 -45.7 66.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 75.3 110.937 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.45 -21.8 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 61.23 111.102 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -73.1 -27.84 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 63.1 110.867 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -40.93 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 73.24 110.846 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.22 -26.01 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.2 111.129 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -55.29 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 64.02 110.882 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 ptt85 -65.93 -26.98 67.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 70.1 110.87 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -71.89 -30.01 64.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.879 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -75.62 -55.24 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.51 110.917 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -78.73 -0.36 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.898 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 75.4 110.866 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.2 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.853 0.359 . . . . 73.12 111.13 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.74 -68.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 65.41 111.105 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.14 -39.83 69.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.05 110.95 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -50.51 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 65.04 110.92 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 13' ' ' VAL . 65.9 t -61.71 -38.44 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 43.21 111.18 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.94 -32.84 76.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 64.3 112.459 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.26 -38.84 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 75.25 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.79 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 51.51 111.108 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.93 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.927 0.394 . . . . 74.24 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.43 -42.02 81.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.867 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.59 -32.48 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 75.43 111.113 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -47.82 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.05 110.922 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -68.81 -44.99 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 75.03 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.82 67.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 71.22 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -71.53 -30.09 65.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 70.24 110.85 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -78.7 -39.18 37.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 73.21 110.926 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.5 mt -69.29 -25.94 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 55.24 111.153 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -55.33 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 65.11 110.88 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -61.49 -26.42 67.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -69.81 -30.48 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.45 110.889 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -75.95 -53.59 8.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.892 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.78 -0.33 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.851 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 70.24 110.876 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.832 0.349 . . . . 74.53 111.075 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -51.73 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 63.02 111.086 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -33.68 74.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.926 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -51.87 53.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.922 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 13' ' ' VAL . 39.1 t -52.12 -44.56 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.35 111.14 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.21 -37.4 59.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 74.45 112.514 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -70.91 -41.98 70.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 73.34 110.845 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 -31.37 72.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 60.24 111.136 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 63.21 110.896 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 74.04 110.832 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.48 -42.07 81.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.835 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.58 -32.42 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 52.51 111.13 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -47.85 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.88 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -68.88 -44.77 72.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.4 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -23.8 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 61.41 111.109 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -71.69 -30.11 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 70.25 110.832 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -78.66 -39.21 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.883 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.25 -26.02 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 70.55 111.149 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -53.99 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.43 110.907 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -26.22 64.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 54.32 110.878 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -48.64 80.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.915 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -34.17 53.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 72.04 110.859 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -78.74 -0.34 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 72.41 110.91 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.0 t60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.835 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.568 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.8 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.851 0.357 . . . . 61.41 111.144 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.51 -57.28 9.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.083 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -64.24 -25.05 67.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 54.11 110.938 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -77.4 -58.72 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.907 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 13' ' ' VAL . 84.9 t -56.09 -54.06 31.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 73.12 111.125 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.37 60.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 73.13 112.489 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -76.74 -43.57 36.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 61.41 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.64 -30.9 67.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 61.43 111.071 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 75.42 110.915 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.844 0.354 . . . . 50.3 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.39 -38.14 71.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.891 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.0 t -67.13 -32.35 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.14 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -47.81 82.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.941 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -68.99 -44.96 71.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.945 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -23.06 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 10.11 111.098 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 t -72.37 -29.46 63.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 71.41 110.833 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -78.88 -39.96 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 74.42 110.917 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.2 mt -68.78 -26.02 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.32 111.089 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -55.42 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.86 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -26.19 68.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 74.51 110.873 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -69.42 -38.87 78.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.15 110.893 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -46.73 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 71.41 110.896 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.71 -0.33 29.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.903 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 55.34 110.879 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 17' ' ' VAL . 17.5 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.356 . . . . 72.03 111.176 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -54.66 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 62.43 111.091 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.45 -26.22 68.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.912 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -75.8 -58.52 3.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 74.51 110.908 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.71 HG12 HD23 ' A' ' 21' ' ' LEU . 92.8 t -53.67 -49.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 53.12 111.143 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.05 -30.99 79.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 61.35 112.494 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -76.35 -38.65 55.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 54.33 110.91 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.76 -52.93 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.32 111.091 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.71 HD23 HG12 ' A' ' 17' ' ' VAL . 1.6 pp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 63.52 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.845 0.355 . . . . 70.23 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.95 -43.82 63.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.42 110.863 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.21 -32.39 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.133 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -47.94 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.881 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -68.74 -47.61 65.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.931 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.53 -22.78 66.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 71.21 111.139 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -72.74 -29.24 63.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.86 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -78.79 -39.8 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.98 -25.96 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.02 111.139 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -55.27 13.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 43.34 110.886 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -26.3 68.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 65.02 110.846 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -68.0 -42.86 80.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.89 -42.47 27.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.53 110.901 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.74 -0.35 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.32 110.907 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.7 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.868 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.2 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.89 0.376 . . . . 60.21 111.127 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.04 -69.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 41.22 111.126 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -52.4 -34.05 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.907 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -55.88 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.25 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 13' ' ' VAL . 88.2 t -56.63 -48.13 81.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 65.21 111.121 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.494 ' HA2' HD12 ' A' ' 21' ' ' LEU . . . -52.92 -35.01 46.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 51.14 112.531 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -76.29 -37.24 57.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 73.15 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -27.36 62.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 45.13 111.068 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.494 HD12 ' HA2' ' A' ' 18' ' ' GLY . 16.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 62.32 110.89 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.904 0.383 . . . . 74.53 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -57.0 -45.1 83.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.863 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.8 -32.33 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 71.24 111.174 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -47.93 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 64.24 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -68.95 -44.63 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.953 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -23.27 67.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 64.31 111.072 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -72.34 -29.67 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.835 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -39.55 35.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 74.45 110.914 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -69.06 -25.96 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.24 111.106 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -55.34 9.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.835 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -62.01 -26.45 68.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 62.22 110.84 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -40.98 87.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 53.45 110.875 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -42.45 36.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 70.52 110.921 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -0.28 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.899 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.879 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 17' ' ' VAL . 9.7 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.846 0.355 . . . . 70.34 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.55 -55.51 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.34 111.106 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -25.7 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 71.45 110.922 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -77.43 -58.59 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.888 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.906 HG12 HD23 ' A' ' 21' ' ' LEU . 97.0 t -55.11 -47.95 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 73.45 111.112 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.53 -31.88 81.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 53.32 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -76.57 -38.56 54.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.23 110.926 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -57.56 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 60.33 111.075 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.906 HD23 HG12 ' A' ' 17' ' ' VAL . 1.6 pp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.899 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.863 0.363 . . . . 73.45 110.881 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -52.22 -43.17 64.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 60.35 110.89 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.45 -32.36 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 53.01 111.102 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -47.85 82.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.918 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -68.9 -46.99 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.2 110.918 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -22.96 67.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.04 111.122 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.51 -29.27 63.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.847 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -78.95 -40.05 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.815 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.84 -25.95 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 64.31 111.172 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.88 -56.03 15.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.52 110.866 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -61.08 -26.29 67.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.861 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -43.14 73.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 72.31 110.904 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -77.35 -43.07 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.913 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -0.32 29.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 72.41 110.914 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.835 179.887 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.556 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.4 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.798 0.333 . . . . 63.44 111.082 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -54.88 25.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.33 111.101 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -65.48 -26.29 67.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.911 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -77.33 -58.7 3.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 72.03 110.868 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.723 HG12 HD23 ' A' ' 21' ' ' LEU . 98.9 t -54.84 -48.91 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 73.31 111.142 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.99 -31.69 81.57 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 72.54 112.515 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -76.66 -38.65 54.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 54.13 110.872 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.95 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.112 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.723 HD23 HG12 ' A' ' 17' ' ' VAL . 1.7 pp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 63.31 110.896 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.868 0.366 . . . . 72.24 110.822 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -53.47 -58.24 7.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.851 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.34 -31.89 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 72.32 111.13 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.12 -40.89 95.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.13 110.858 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -68.03 -42.97 79.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.92 94.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 65.3 111.152 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -23.88 63.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.43 110.855 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -81.08 -43.57 19.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.827 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.7 mt -66.54 -26.01 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.123 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -53.52 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 71.23 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -69.31 -26.25 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 71.31 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -69.31 -47.13 65.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 43.15 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -73.58 -45.9 50.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 71.33 110.951 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.77 -0.32 29.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 44.42 110.901 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.887 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 17' ' ' VAL . 11.7 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 74.12 111.114 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 -59.04 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 72.3 111.12 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -62.99 -29.84 71.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 53.02 110.93 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -73.18 -57.26 4.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 64.14 110.925 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 13' ' ' VAL . 88.7 t -63.25 -37.95 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 51.34 111.144 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.81 -28.91 73.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 65.53 112.498 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -34.93 58.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 63.34 110.921 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.14 -47.43 51.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.111 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 53.34 110.942 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.832 0.349 . . . . 71.53 110.816 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.42 -39.14 75.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.871 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.07 -32.42 57.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 73.52 111.153 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -47.79 82.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.927 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -68.68 -45.44 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 72.14 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.85 -23.92 67.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 41.14 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -29.89 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.0 110.883 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -78.72 -39.43 36.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 65.4 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.11 -26.03 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.141 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -55.96 11.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.891 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -64.63 -26.75 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 72.21 110.89 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -71.96 -41.9 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.904 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -69.84 -50.72 39.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 71.53 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.78 -0.35 30.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 73.0 110.934 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.824 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.8 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.81 0.338 . . . . 71.34 111.129 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -60.07 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 60.41 111.089 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -25.84 68.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.888 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -76.07 -58.55 3.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 71.14 110.915 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 13' ' ' VAL . 90.4 t -59.04 -43.51 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 65.11 111.101 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.02 -32.38 34.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 72.44 112.487 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -44.49 34.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 73.25 110.9 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.99 75.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 42.43 111.051 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 63.24 110.942 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.85 0.357 . . . . 75.44 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -58.66 -51.3 70.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.34 -32.45 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 73.5 111.174 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -47.63 85.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 62.43 110.869 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.07 -44.96 71.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 51.21 110.955 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.37 -22.47 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 52.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.09 -27.79 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 61.44 110.845 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -79.66 -41.11 27.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.7 mt -68.0 -26.05 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 63.43 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -54.56 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 62.21 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.52 -26.37 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 52.05 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -29.63 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.5 110.902 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -77.77 -50.42 12.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 55.34 110.87 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -78.84 -0.28 29.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.3 110.901 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.6 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.862 179.831 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' VAL . 67.1 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.79 0.329 . . . . 74.41 111.116 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 73.12 111.107 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.9 -28.52 69.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.903 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -74.31 -57.39 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 71.51 110.908 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.498 HG12 HD23 ' A' ' 21' ' ' LEU . 92.5 t -63.96 -38.04 81.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 64.32 111.11 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -64.3 -28.56 73.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 72.14 112.465 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -76.66 -34.35 58.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 74.43 110.875 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.22 -57.7 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 51.12 111.07 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD23 HG12 ' A' ' 17' ' ' VAL . 4.6 pp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 63.33 110.893 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.879 0.371 . . . . 43.11 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.39 -45.22 94.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 64.23 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.2 t -64.42 -33.22 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 63.42 111.124 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -47.61 83.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 61.35 110.854 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.79 -44.73 72.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.55 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.87 -23.33 67.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 71.33 111.122 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -72.25 -28.61 63.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 45.04 110.86 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -40.98 27.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 72.25 110.899 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.06 -25.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 54.3 111.157 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -56.07 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 62.12 110.874 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -62.12 -26.67 68.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 70.43 110.867 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -71.99 -37.8 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.877 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -47.35 16.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 70.5 110.94 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -78.74 -0.36 30.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.896 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 72.51 110.868 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 17' ' ' VAL . 17.5 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.863 0.363 . . . . 73.42 111.151 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.36 -54.88 26.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 31.42 111.114 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -26.21 68.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.897 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -75.61 -58.52 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 75.05 110.951 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.793 HG12 HD23 ' A' ' 21' ' ' LEU . 93.6 t -53.47 -50.72 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 73.43 111.1 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.07 -30.74 76.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 72.21 112.488 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -76.41 -39.27 54.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 60.14 110.896 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -60.1 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.03 111.066 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.793 HD23 HG12 ' A' ' 17' ' ' VAL . 1.7 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.918 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.843 0.354 . . . . 72.01 110.83 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.16 -50.3 74.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.12 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.55 -32.34 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 54.45 111.165 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -47.74 82.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.859 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.84 -44.95 72.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.932 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.56 -22.92 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 63.35 111.136 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -29.21 63.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.4 110.846 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -79.06 -40.08 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.864 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.0 mt -68.75 -26.02 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 75.51 111.097 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -54.46 13.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 64.5 110.887 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -26.42 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 72.21 110.901 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -42.65 82.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.892 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.6 -40.45 49.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 54.03 110.919 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -78.78 -0.34 30.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 52.31 110.834 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.0 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.825 0.345 . . . . 74.43 111.146 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.77 -58.48 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 43.24 111.084 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -30.17 71.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 71.15 110.935 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.88 -56.91 4.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 63.1 110.923 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 13' ' ' VAL . 89.6 t -63.65 -38.04 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 70.52 111.116 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.3 -28.66 73.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 75.34 112.498 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -34.28 58.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 74.44 110.871 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.21 -58.53 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 64.43 111.105 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.45 HD23 HG12 ' A' ' 17' ' ' VAL . 3.9 pp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 63.32 110.924 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.855 0.36 . . . . 73.25 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.68 -39.19 76.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 73.44 110.875 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.99 -32.44 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 61.21 111.175 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -47.87 82.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 70.53 110.864 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -68.67 -45.33 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 60.52 110.944 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.88 -23.96 67.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 62.25 111.064 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -29.88 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.868 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -78.73 -39.36 36.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 70.33 110.891 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.23 -25.98 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 71.34 111.119 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -55.81 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.873 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -65.01 -26.65 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.824 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -61.92 -44.51 96.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 61.45 110.903 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -78.02 -36.53 48.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.92 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.78 -0.33 29.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 64.24 110.866 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 64.32 110.877 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 14' ' ' ALA . 3.7 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.817 0.342 . . . . 64.54 111.156 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 13' ' ' VAL . . . -50.46 -44.9 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.102 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -70.49 -34.42 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 70.23 110.943 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.54 -59.8 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 74.12 110.889 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.46 -49.25 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 71.03 111.168 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 21' ' ' LEU . . . -52.61 -27.39 26.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 54.13 112.535 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -76.37 -44.43 36.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 71.35 110.925 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.94 -33.3 68.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 53.24 111.067 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 18' ' ' GLY . 30.8 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 73.24 110.928 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.917 0.389 . . . . 70.13 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.41 -42.14 81.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 63.2 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.46 -32.48 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 64.14 111.17 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -47.82 82.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.934 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -68.84 -44.72 72.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 73.15 110.918 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.99 -23.86 67.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.105 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.63 -30.28 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.87 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -39.11 38.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.854 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.33 -25.99 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 65.14 111.165 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -55.45 9.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.21 110.896 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -61.29 -26.26 67.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.907 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -68.32 -47.64 67.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 63.01 110.888 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -43.53 53.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 53.23 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.68 -0.41 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.885 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.0 t60 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.01 110.833 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 17' ' ' VAL . 59.8 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.86 0.362 . . . . 73.21 111.154 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.16 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.03 111.076 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -64.73 -24.51 67.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.897 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -56.96 4.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.88 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.712 HG12 HD23 ' A' ' 21' ' ' LEU . 98.2 t -64.27 -49.67 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 53.51 111.16 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.33 -26.07 50.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 52.2 112.478 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -76.14 -41.09 51.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 73.22 110.859 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.81 -51.86 30.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 73.23 111.089 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.712 HD23 HG12 ' A' ' 17' ' ' VAL . 1.7 pp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 73.02 110.884 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.865 0.364 . . . . 71.42 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.43 -42.22 81.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 73.44 110.825 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.46 -32.39 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 53.44 111.165 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -47.84 82.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -68.88 -44.75 72.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.935 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.1 -23.74 67.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.31 111.071 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -71.77 -30.1 65.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 41.45 110.818 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -78.63 -39.2 37.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.01 110.869 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.37 -25.98 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 65.15 111.15 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -55.58 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.915 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -26.2 53.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 64.13 110.853 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -69.21 -40.36 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -78.77 -46.53 18.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 64.43 110.913 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -78.82 -0.27 29.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.908 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 53.4 110.864 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.9 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.885 0.374 . . . . 72.41 111.136 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.33 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.113 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -26.74 66.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.888 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -78.79 -58.35 3.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 65.54 110.949 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.669 HG12 HD23 ' A' ' 21' ' ' LEU . 60.6 t -51.89 -53.69 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 54.42 111.109 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.26 -30.26 64.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 71.35 112.519 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.36 -42.53 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 73.51 110.907 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 -60.42 2.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 51.32 111.051 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.669 HD23 HG12 ' A' ' 17' ' ' VAL . 3.1 pp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.883 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.884 0.373 . . . . 74.51 110.881 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.38 -45.43 93.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.09 -33.28 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.25 111.147 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.59 83.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 55.22 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.79 -44.63 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 64.52 110.885 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.18 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.094 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -72.39 -28.73 63.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 71.13 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -79.54 -40.82 28.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.866 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mt -68.06 -26.0 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 71.41 111.089 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -55.44 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 54.33 110.893 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -58.52 -26.77 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 75.51 110.851 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -36.99 79.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 63.24 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -77.07 -44.15 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 35.42 110.895 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -0.31 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.928 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.866 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG22 ' CG2' ' A' ' 17' ' ' VAL . 10.0 p . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.875 0.369 . . . . 64.2 111.17 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.12 -57.17 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 51.3 111.129 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -69.58 -25.18 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.05 110.899 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -79.13 -58.82 3.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 73.03 110.937 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG2' HG22 ' A' ' 13' ' ' VAL . 97.2 t -62.13 -33.97 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 72.33 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.1 -30.97 77.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 53.34 112.511 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -32.12 57.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 65.23 110.926 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -59.64 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 61.2 111.108 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.921 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.903 0.382 . . . . 60.42 110.845 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.56 -39.21 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.95 -32.42 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.2 111.148 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -47.88 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 71.11 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -68.64 -45.52 71.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.93 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.65 -24.19 67.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 61.32 111.12 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -70.91 -30.14 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 70.34 110.855 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -78.66 -39.07 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 75.12 110.878 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.39 -25.92 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 62.23 111.146 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -55.66 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 54.15 110.869 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -59.27 -26.22 64.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 72.51 110.868 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -32.41 71.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 53.53 110.951 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -75.78 -52.55 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.933 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -78.77 -0.34 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 51.11 110.913 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.834 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.53 -0.228 . . . . 53.24 112.53 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.3 -42.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 53.24 111.172 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -56.58 -27.13 57.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.915 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.3 -26.17 23.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 65.24 110.904 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -11.45 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 65.44 110.855 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.0 mm -51.83 -29.44 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.152 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.527 ' HA2' HG21 ' A' ' 13' ' ' VAL . . . -99.2 -15.56 32.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 60.14 112.48 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -29.93 23.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 72.11 110.939 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.61 45.47 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 44.31 112.465 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.3 -16.96 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 64.22 111.122 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.41 59.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 55.3 112.458 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 63.5 26.68 14.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 71.13 110.907 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.8 m -56.44 -38.54 56.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 60.21 111.105 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -57.28 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 60.54 111.055 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -26.09 68.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.34 110.969 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -74.79 -58.51 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 72.15 110.981 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 13' ' ' VAL . 93.9 t -53.59 -50.38 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.32 111.099 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.76 77.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 72.13 112.5 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -76.41 -39.17 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 65.23 110.913 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.13 68.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.125 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 17' ' ' VAL . 38.3 mt -58.44 -40.34 82.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 60.51 110.906 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.76 25.11 25.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 32.54 112.517 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -72.67 -171.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 74.44 110.896 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.0 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 62.35 110.916 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -54.04 -27.95 35.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.24 110.863 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.3 -43.65 96.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.34 -33.24 62.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 72.45 111.136 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -47.65 84.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.88 -44.72 72.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 74.54 110.895 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.19 -23.2 67.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 71.22 111.097 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -72.39 -27.95 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 73.3 110.876 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -80.7 -42.3 22.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 64.31 110.885 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.96 -26.13 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.51 111.14 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -55.13 10.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 54.22 110.884 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -28.68 66.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.44 110.86 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -71.29 -41.33 70.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.897 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -69.98 -51.94 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 70.13 110.861 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -78.74 -0.36 29.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 53.42 110.888 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.911 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.483 -0.247 . . . . 65.32 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.42 -41.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.797 0.332 . . . . 63.25 111.124 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -28.58 59.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 64.21 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.36 46.49 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 70.14 110.897 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.19 -43.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 63.02 110.891 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.4 mt -66.68 -24.61 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.04 111.137 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.4 17.7 4.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 75.42 112.482 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.03 -25.74 34.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 71.44 110.919 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.34 47.51 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 62.41 112.438 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 mm -51.78 -37.89 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 74.12 111.122 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.56 -34.85 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.719 . . . . 44.02 112.525 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -152.83 26.82 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.846 0.355 . . . . 74.44 110.88 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.57 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.5 m -54.02 -38.25 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 31.33 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.15 -63.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 61.23 111.125 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -56.2 -32.78 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 62.4 110.932 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -62.07 -58.2 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 75.03 110.967 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 13' ' ' VAL . 56.0 t -56.68 -42.39 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.125 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.17 -32.33 63.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 72.55 112.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -39.93 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 75.52 110.865 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.21 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.22 111.104 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.27 -26.05 64.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 61.24 110.9 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.7 32.47 3.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 71.22 112.502 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -173.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 73.03 110.868 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 tt -71.83 -45.36 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -44.29 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.863 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.45 -44.58 76.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 54.22 110.853 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.12 -32.34 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.145 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -47.92 83.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 61.11 110.91 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -66.92 -43.88 82.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.72 81.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.41 111.107 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -59.69 -26.81 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 71.21 110.862 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -41.95 60.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 54.53 110.915 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.82 -24.37 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 61.33 111.126 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -72.76 -50.25 25.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -62.99 -29.87 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.33 110.841 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -71.11 -46.35 61.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.14 110.854 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -67.25 -49.54 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.931 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -78.8 -0.38 30.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.832 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.494 -0.242 . . . . 73.23 112.494 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -170.79 -74.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.79 0.329 . . . . 73.24 111.153 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -75.37 -6.75 51.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 75.1 110.921 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -147.17 38.16 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 72.53 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -158.14 -56.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.848 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 17' ' ' VAL . 42.7 mm -67.53 -22.08 28.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 75.51 111.122 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.66 -21.52 7.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 70.42 112.488 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -46.92 77.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 73.21 110.917 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.09 46.97 2.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 75.34 112.509 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.2 mm -53.04 -39.0 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 60.43 111.144 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.31 -54.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 71.21 112.463 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.29 27.66 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 74.22 110.904 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.9 m -55.34 -39.05 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 41.43 111.098 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -57.83 8.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 54.55 111.084 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -36.66 72.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.924 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -59.75 -56.92 15.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.939 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 13' ' ' VAL . 76.1 t -52.42 -41.92 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 71.54 111.107 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.24 -39.77 97.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 55.44 112.47 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -75.45 -27.15 58.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 65.53 110.857 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.07 -53.75 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.135 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.04 -26.67 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 71.44 110.933 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.8 48.17 0.98 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 71.22 112.489 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -72.02 -61.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 72.42 110.875 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.93 -63.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 63.31 110.927 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.21 -28.67 68.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 53.04 110.877 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.85 -53.19 59.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 55.34 110.856 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.8 t -54.9 -32.44 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 70.04 111.143 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -63.28 -48.72 76.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 71.35 110.896 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -44.47 97.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.41 110.902 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.41 66.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 52.14 111.129 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -27.0 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.84 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -81.22 -41.41 22.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.841 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -68.35 -25.96 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 34.04 111.111 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -48.51 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -70.03 -30.19 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -27.77 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 70.2 110.868 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -76.0 -53.87 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 63.15 110.905 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -0.42 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.51 110.927 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.897 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.491 -0.243 . . . . 64.24 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 p -55.65 -25.89 41.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.744 0.307 . . . . 64.23 111.119 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -27.11 68.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 42.33 110.903 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.39 79.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 74.42 110.908 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -179.06 -35.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 65.25 110.835 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.487 ' O ' HG11 ' A' ' 13' ' ' VAL . 70.1 mt -67.16 -21.6 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 71.31 111.147 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.47 13.64 4.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 70.54 112.477 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -69.48 -24.62 63.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 61.52 110.97 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.45 47.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 75.11 112.457 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.1 mm -72.03 -39.92 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 72.42 111.12 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.89 -64.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 53.42 112.486 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -146.13 20.28 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 73.22 110.862 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.0 t -71.15 -29.4 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 51.01 111.163 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.73 -58.64 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 70.43 111.123 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.16 -30.32 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.923 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.74 -56.88 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 71.25 110.902 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 13' ' ' VAL . 88.2 t -63.57 -38.02 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.138 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -64.23 -28.78 73.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.792 -0.718 . . . . 51.33 112.461 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.42 -34.29 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 73.54 110.882 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.14 -58.45 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 52.01 111.062 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 22' ' ' GLY . 4.6 pp -54.37 -27.22 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 63.34 110.936 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.527 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -89.57 -23.41 33.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 75.31 112.461 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -73.33 -75.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 73.15 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.71 24.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 62.12 110.92 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -73.03 -49.26 29.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.812 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -52.94 -58.23 7.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.842 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t -51.29 -32.25 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.136 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -48.0 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 40.35 110.868 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.97 -45.7 66.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 75.3 110.937 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.45 -21.8 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 61.23 111.102 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -73.1 -27.84 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 63.1 110.867 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -40.93 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 73.24 110.846 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.22 -26.01 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.2 111.129 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -55.29 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 64.02 110.882 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 ptt85 -65.93 -26.98 67.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 70.1 110.87 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -71.89 -30.01 64.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.879 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -75.62 -55.24 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.51 110.917 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -78.73 -0.36 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.898 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 75.4 110.866 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.481 -0.248 . . . . 64.02 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.93 -41.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 43.51 111.131 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -57.85 -25.84 61.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 75.53 110.932 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.63 -26.0 23.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 53.53 110.852 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -79.71 -11.69 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.84 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt -51.36 -38.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.41 111.151 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.43 -21.44 10.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 35.0 112.481 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.97 -3.92 55.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 71.13 110.934 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.827 ' HA2' ' HB2' ' A' ' 14' ' ' ALA . . . -158.77 42.57 0.48 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 75.31 112.523 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 HG21 ' A' ' 13' ' ' VAL . 63.2 mt -51.73 -36.28 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 43.41 111.127 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.79 -21.52 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 62.31 112.495 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.36 -40.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 74.43 110.911 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.2 m -50.08 -32.38 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.13 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.827 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . . . -53.74 -68.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 65.41 111.105 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.14 -39.83 69.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.05 110.95 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -50.51 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 65.04 110.92 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 13' ' ' VAL . 65.9 t -61.71 -38.44 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 43.21 111.18 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.94 -32.84 76.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 64.3 112.459 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.26 -38.84 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 75.25 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.79 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 51.51 111.108 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.66 -25.93 67.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.93 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.06 28.09 4.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 74.23 112.505 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -173.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 72.24 110.928 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.28 -28.38 67.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 55.15 110.87 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 p -52.03 -45.75 64.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.88 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.43 -42.02 81.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.867 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.59 -32.48 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 75.43 111.113 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -47.82 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.05 110.922 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -68.81 -44.99 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 75.03 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.82 67.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 71.22 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -71.53 -30.09 65.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 70.24 110.85 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -78.7 -39.18 37.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 73.21 110.926 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.5 mt -69.29 -25.94 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 55.24 111.153 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -55.33 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 65.11 110.88 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -61.49 -26.42 67.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -69.81 -30.48 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.45 110.889 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -75.95 -53.59 8.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.892 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.78 -0.33 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.851 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 70.24 110.876 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.455 -0.258 . . . . 73.2 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m 65.45 13.87 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 72.2 111.168 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -76.01 -32.65 59.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 65.42 110.914 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.42 46.56 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 62.44 110.854 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -161.99 -43.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.87 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.15 -25.57 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 64.12 111.102 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.64 -20.05 8.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 63.14 112.453 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -43.58 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 72.15 110.939 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.92 51.74 2.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 75.53 112.437 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.23 -71.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 72.33 111.085 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -180.0 -31.75 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 74.23 112.536 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -92.65 -28.26 16.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 73.02 110.91 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.9 m -51.83 -39.02 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.53 111.075 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -51.73 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 63.02 111.086 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -33.68 74.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.926 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -51.87 53.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.922 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 13' ' ' VAL . 39.1 t -52.12 -44.56 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.35 111.14 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.21 -37.4 59.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 74.45 112.514 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -70.91 -41.98 70.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 73.34 110.845 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 -31.37 72.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 60.24 111.136 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.6 -26.0 41.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 63.21 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.07 53.14 0.81 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.71 -0.757 . . . . 73.14 112.492 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.19 20.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 73.43 110.895 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.16 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.913 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 t -52.09 -45.65 64.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.832 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.48 -42.07 81.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.835 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.58 -32.42 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 52.51 111.13 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -47.85 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.88 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -68.88 -44.77 72.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.4 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -23.8 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 61.41 111.109 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -71.69 -30.11 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 70.25 110.832 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -78.66 -39.21 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.883 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.25 -26.02 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 70.55 111.149 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -53.99 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.43 110.907 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -26.22 64.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 54.32 110.878 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -48.64 80.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.915 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -34.17 53.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 72.04 110.859 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -78.74 -0.34 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 72.41 110.91 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.0 t60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.835 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.501 -0.24 . . . . 54.33 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.64 -40.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 74.42 111.108 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -64.52 -26.39 68.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 71.14 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.25 101.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 73.24 110.848 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.69 -33.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.34 110.902 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.56 ' O ' HD11 ' A' ' 10' ' ' ILE . 2.8 mp -67.38 -12.0 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 53.21 111.15 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.12 31.57 1.18 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.686 -0.768 . . . . 73.44 112.448 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -155.93 -40.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 62.32 110.918 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.06 4.0 67.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 71.35 112.512 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 6' ' ' ILE . 91.0 mt -51.59 -74.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.387 . . . . 74.42 111.116 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.18 -30.15 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 74.12 112.492 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -92.73 -44.47 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 72.25 110.882 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.568 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.8 t -63.67 -28.47 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 61.41 111.144 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.51 -57.28 9.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.083 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -64.24 -25.05 67.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 54.11 110.938 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -77.4 -58.72 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.907 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 13' ' ' VAL . 84.9 t -56.09 -54.06 31.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 73.12 111.125 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.37 60.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 73.13 112.489 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -76.74 -43.57 36.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 61.41 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.64 -30.9 67.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 61.43 111.071 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 mt -56.03 -24.79 41.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 75.42 110.915 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.14 56.66 0.73 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 64.03 112.49 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.03 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 72.33 110.905 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tp 44.91 53.71 7.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 71.05 110.947 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -167.94 -38.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 50.3 110.838 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.39 -38.14 71.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.891 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.0 t -67.13 -32.35 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.14 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -47.81 82.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.941 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -68.99 -44.96 71.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.945 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -23.06 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 10.11 111.098 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 t -72.37 -29.46 63.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 71.41 110.833 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -78.88 -39.96 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 74.42 110.917 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.2 mt -68.78 -26.02 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.32 111.089 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -55.42 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.86 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -26.19 68.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 74.51 110.873 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -69.42 -38.87 78.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.15 110.893 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -46.73 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 71.41 110.896 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.71 -0.33 29.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.903 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 55.34 110.879 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.508 -0.237 . . . . 53.43 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.88 -40.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.731 0.301 . . . . 74.23 111.134 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 36.6 p90 -52.63 -37.68 58.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.971 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.37 102.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 61.23 110.866 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.49 ' O ' HG11 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -177.9 -39.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 54.13 110.896 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.477 HG23 HG21 ' A' ' 17' ' ' VAL . 77.3 mt -64.19 -26.24 39.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 72.2 111.097 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.64 -20.94 9.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 24.34 112.478 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -52.13 -41.75 62.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 72.3 110.89 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.64 48.55 1.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 71.24 112.499 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.21 -58.61 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 73.45 111.094 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.65 -25.88 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 73.02 112.498 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.39 26.13 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 74.4 110.873 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 17' ' ' VAL . 17.5 m -56.61 -39.04 60.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.03 111.176 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -54.66 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 62.43 111.091 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.45 -26.22 68.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.912 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -75.8 -58.52 3.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 74.51 110.908 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.71 HG12 HD23 ' A' ' 21' ' ' LEU . 92.8 t -53.67 -49.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 53.12 111.143 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.05 -30.99 79.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 61.35 112.494 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -76.35 -38.65 55.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 54.33 110.91 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.76 -52.93 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.32 111.091 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.71 HD23 HG12 ' A' ' 17' ' ' VAL . 1.6 pp -68.78 -26.4 65.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 63.52 110.876 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.58 21.27 43.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 71.52 112.463 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.77 -26.88 63.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 62.35 110.875 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.79 179.2 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 74.05 110.91 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t 74.65 -66.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 70.23 110.844 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.95 -43.82 63.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.42 110.863 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.21 -32.39 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.133 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -47.94 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.881 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -68.74 -47.61 65.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.931 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.53 -22.78 66.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 71.21 111.139 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -72.74 -29.24 63.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.86 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -78.79 -39.8 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.98 -25.96 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.02 111.139 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -55.27 13.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 43.34 110.886 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -26.3 68.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 65.02 110.846 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -68.0 -42.86 80.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.89 -42.47 27.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.53 110.901 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.74 -0.35 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.32 110.907 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.7 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.868 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.485 -0.246 . . . . 65.41 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.896 HG22 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -171.54 -41.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 73.13 111.191 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -73.06 -29.23 62.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.943 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.4 79.73 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 70.43 110.886 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.45 -42.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.896 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.896 HD11 HG22 ' A' ' 2' ' ' THR . 71.7 mt -62.28 -26.96 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.103 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.3 -19.53 7.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 52.4 112.488 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -29.32 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 75.42 110.878 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.817 ' HA2' ' HB2' ' A' ' 14' ' ' ALA . . . 96.75 50.11 1.85 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 34.31 112.498 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.4 mt -53.04 -36.48 24.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.86 0.362 . . . . 74.44 111.073 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.6 -21.5 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 42.24 112.49 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.38 -40.21 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 75.12 110.887 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.2 m -50.01 -32.39 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 60.21 111.127 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.817 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . . . -57.04 -69.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 41.22 111.126 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -52.4 -34.05 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.907 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -55.88 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.25 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.518 ' CG2' HG22 ' A' ' 6' ' ' ILE . 88.2 t -56.63 -48.13 81.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 65.21 111.121 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.494 ' HA2' HD12 ' A' ' 21' ' ' LEU . . . -52.92 -35.01 46.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 51.14 112.531 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -76.29 -37.24 57.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 73.15 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -27.36 62.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 45.13 111.068 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.494 HD12 ' HA2' ' A' ' 18' ' ' GLY . 16.4 mt -56.4 -36.37 68.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 62.32 110.89 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.64 22.27 17.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 73.55 112.501 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -26.87 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 71.23 110.914 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tt 74.33 -66.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.934 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.8 m -51.95 -48.82 64.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.894 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -57.0 -45.1 83.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.863 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.8 -32.33 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 71.24 111.174 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -47.93 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 64.24 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -68.95 -44.63 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.953 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -23.27 67.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 64.31 111.072 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -72.34 -29.67 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.835 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -39.55 35.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 74.45 110.914 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -69.06 -25.96 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.24 111.106 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -55.34 9.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.835 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -62.01 -26.45 68.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 62.22 110.84 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -40.98 87.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 53.45 110.875 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -42.45 36.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 70.52 110.921 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -0.28 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.899 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.879 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.478 -0.249 . . . . 65.22 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.17 -42.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 72.32 111.161 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -70.16 -25.94 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 70.25 110.928 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.03 -25.1 32.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 64.12 110.868 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -79.56 -9.46 59.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.864 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.8 mt -51.39 -40.7 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.22 111.114 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.13 -19.7 11.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.84 -0.695 . . . . 70.22 112.482 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -44.71 88.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 74.23 110.9 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.65 42.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 25.13 112.489 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.2 tt -51.78 -32.61 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 73.11 111.14 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.61 -75.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 45.32 112.478 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.2 19.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 73.03 110.84 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 17' ' ' VAL . 9.7 t -71.17 -32.4 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 70.34 111.126 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.55 -55.51 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.34 111.106 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -25.7 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 71.45 110.922 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -77.43 -58.59 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.888 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.906 HG12 HD23 ' A' ' 21' ' ' LEU . 97.0 t -55.11 -47.95 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 73.45 111.112 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.53 -31.88 81.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 53.32 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -76.57 -38.56 54.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.23 110.926 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -57.56 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 60.33 111.075 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.906 HD23 HG12 ' A' ' 17' ' ' VAL . 1.6 pp -68.36 -26.24 65.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.899 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.71 19.31 52.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.68 -0.772 . . . . 53.55 112.5 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.664 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.5 t-20 -72.55 -173.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 65.03 110.929 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.38 162.55 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 64.42 110.884 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 74.97 -65.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.881 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -52.22 -43.17 64.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 60.35 110.89 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 23' ' ' ASN . 42.9 t -66.45 -32.36 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 53.01 111.102 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -47.85 82.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.918 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -68.9 -46.99 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.2 110.918 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -22.96 67.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.04 111.122 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.51 -29.27 63.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.847 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -78.95 -40.05 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.815 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.84 -25.95 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 64.31 111.172 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.88 -56.03 15.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.52 110.866 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -61.08 -26.29 67.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.861 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -43.14 73.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 72.31 110.904 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -77.35 -43.07 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.913 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -0.32 29.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 72.41 110.914 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.835 179.887 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.458 -0.257 . . . . 65.33 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -25.88 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 61.42 111.165 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -70.17 -26.76 64.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.913 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.22 101.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 70.14 110.864 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -179.51 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 70.11 110.903 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.0 mm -67.45 -12.6 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 64.22 111.104 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.76 -18.81 3.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 64.2 112.534 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.702 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -82.85 -70.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 62.1 110.913 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.39 93.4 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 53.03 112.475 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.5 tp -164.03 -35.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 62.5 111.16 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.28 -29.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.735 . . . . 64.05 112.535 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -94.14 28.05 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 71.24 110.905 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.702 HG22 ' O ' ' A' ' 8' ' ' GLN . 6.4 t -70.98 -34.08 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 63.44 111.082 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -54.88 25.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.33 111.101 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -65.48 -26.29 67.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.911 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -77.33 -58.7 3.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 72.03 110.868 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.723 HG12 HD23 ' A' ' 21' ' ' LEU . 98.9 t -54.84 -48.91 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 73.31 111.142 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.99 -31.69 81.57 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 72.54 112.515 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -76.66 -38.65 54.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 54.13 110.872 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.95 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.112 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.723 HD23 HG12 ' A' ' 17' ' ' VAL . 1.7 pp -54.71 -31.98 58.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 63.31 110.896 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.24 -19.77 68.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 73.53 112.449 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -171.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 73.45 110.915 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -166.27 -43.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 64.15 110.911 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -30.51 26.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.24 110.822 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -53.47 -58.24 7.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.851 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.34 -31.89 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 72.32 111.13 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.12 -40.89 95.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.13 110.858 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -68.03 -42.97 79.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.928 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.92 94.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 65.3 111.152 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -23.88 63.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.43 110.855 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -81.08 -43.57 19.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.827 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.7 mt -66.54 -26.01 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.123 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -53.52 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 71.23 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -69.31 -26.25 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 71.31 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -69.31 -47.13 65.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 43.15 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -73.58 -45.9 50.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 71.33 110.951 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.77 -0.32 29.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 44.42 110.901 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.887 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.499 -0.241 . . . . 54.41 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m 65.5 13.82 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 75.13 111.12 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -75.99 -32.94 59.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 72.51 110.924 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.36 102.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 73.12 110.899 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -178.95 -35.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 63.12 110.869 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.49 HG23 HD13 ' A' ' 10' ' ' ILE . 3.7 mp -67.16 -18.15 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 72.02 111.124 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.76 -36.09 5.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 33.53 112.5 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.688 ' O ' HG22 ' A' ' 13' ' ' VAL . 9.1 pt20 -82.46 -35.85 27.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 75.12 110.927 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.9 101.86 0.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 64.52 112.49 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.49 HD13 HG23 ' A' ' 6' ' ' ILE . 4.5 tp -164.59 -36.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 75.33 111.097 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.53 -26.7 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 75.42 112.508 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -93.68 22.18 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 64.34 110.894 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 8' ' ' GLN . 11.7 t -66.94 -30.28 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.12 111.114 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 -59.04 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 72.3 111.12 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -62.99 -29.84 71.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 53.02 110.93 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -73.18 -57.26 4.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 64.14 110.925 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 13' ' ' VAL . 88.7 t -63.25 -37.95 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 51.34 111.144 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.81 -28.91 73.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 65.53 112.498 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -34.93 58.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 63.34 110.921 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.14 -47.43 51.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.111 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.8 mt -55.14 -26.51 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 53.34 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.61 -44.26 4.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 44.32 112.525 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.78 -59.67 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 62.13 110.908 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 tp 65.42 62.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 75.2 110.903 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t -172.26 -37.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.53 110.816 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.42 -39.14 75.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.871 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.07 -32.42 57.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 73.52 111.153 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -47.79 82.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.927 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -68.68 -45.44 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 72.14 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.85 -23.92 67.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 41.14 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -29.89 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.0 110.883 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -78.72 -39.43 36.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 65.4 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.11 -26.03 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.141 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -55.96 11.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.891 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -64.63 -26.75 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 72.21 110.89 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -71.96 -41.9 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.904 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -69.84 -50.72 39.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 71.53 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.78 -0.35 30.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 73.0 110.934 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.824 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.467 -0.253 . . . . 62.4 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.43 13.86 9.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 74.41 111.163 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -75.97 -32.96 59.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 70.55 110.949 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.0 t0 64.24 14.84 8.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.878 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -11.86 59.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 73.25 110.873 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.65 -30.05 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 70.35 111.141 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.1 22.12 18.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 72.41 112.499 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.85 20.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 71.24 110.874 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.44 ' HA2' HG21 ' A' ' 13' ' ' VAL . . . 160.49 85.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 63.44 112.491 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 tp -164.78 -36.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 71.31 111.153 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.36 -30.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 63.13 112.492 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -74.35 -26.21 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 71.41 110.868 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.8 t -65.43 -27.11 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 71.34 111.129 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -60.07 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 60.41 111.089 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -25.84 68.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.888 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -76.07 -58.55 3.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 71.14 110.915 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 13' ' ' VAL . 90.4 t -59.04 -43.51 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 65.11 111.101 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.02 -32.38 34.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 72.44 112.487 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -44.49 34.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 73.25 110.9 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.99 75.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 42.43 111.051 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.67 -30.68 22.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 63.24 110.942 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.52 59.04 0.7 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 61.01 112.434 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' HB3' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -164.67 -39.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 74.22 110.916 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -165.99 28.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 54.31 110.916 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -39.52 73.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 75.44 110.849 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -58.66 -51.3 70.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.34 -32.45 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 73.5 111.174 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -47.63 85.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 62.43 110.869 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -69.07 -44.96 71.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 51.21 110.955 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.37 -22.47 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 52.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.09 -27.79 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 61.44 110.845 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -79.66 -41.11 27.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.7 mt -68.0 -26.05 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 63.43 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -54.56 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 62.21 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.52 -26.37 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 52.05 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -29.63 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.5 110.902 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -77.77 -50.42 12.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 55.34 110.87 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -78.84 -0.28 29.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.3 110.901 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.6 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.862 179.831 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.471 -0.251 . . . . 75.12 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.27 -40.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.73 0.3 . . . . 61.24 111.078 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -62.24 2.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 63.23 110.905 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 t70 64.29 14.88 9.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 75.15 110.852 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -12.15 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.859 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.33 -31.44 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.53 111.133 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.37 -16.99 7.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 44.55 112.457 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.76 -24.85 58.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 74.1 110.911 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.19 -0.08 44.25 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.75 -0.738 . . . . 70.1 112.487 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.2 tt -165.12 139.65 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 73.55 111.135 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.83 -54.5 0.72 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 75.42 112.443 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.35 13.97 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 55.24 110.828 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' VAL . 67.1 t -72.1 -25.94 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.116 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 73.12 111.107 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.9 -28.52 69.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.903 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -74.31 -57.39 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 71.51 110.908 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.498 HG12 HD23 ' A' ' 21' ' ' LEU . 92.5 t -63.96 -38.04 81.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 64.32 111.11 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -64.3 -28.56 73.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 72.14 112.465 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -76.66 -34.35 58.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 74.43 110.875 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.22 -57.7 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 51.12 111.07 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' GLY . 4.6 pp -55.27 -26.34 39.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 63.33 110.893 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.522 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -83.82 -31.76 25.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 62.32 112.468 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -170.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.1 110.891 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp -166.29 75.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 60.41 110.924 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.28 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 43.11 110.873 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.39 -45.22 94.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 64.23 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.2 t -64.42 -33.22 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 63.42 111.124 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -47.61 83.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 61.35 110.854 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.79 -44.73 72.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.55 110.874 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.87 -23.33 67.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 71.33 111.122 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -72.25 -28.61 63.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 45.04 110.86 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -40.98 27.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 72.25 110.899 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.06 -25.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 54.3 111.157 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -56.07 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 62.12 110.874 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -62.12 -26.67 68.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 70.43 110.867 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -71.99 -37.8 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.877 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -47.35 16.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 70.5 110.94 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -78.74 -0.36 30.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.896 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 72.51 110.868 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.534 -0.226 . . . . 70.04 112.534 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m 65.48 13.87 9.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 74.52 111.108 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -76.05 -32.67 59.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 74.11 110.891 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.28 20.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 64.14 110.875 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.541 ' HB3' HD11 ' A' ' 10' ' ' ILE . 84.7 m-20 -80.22 -16.99 53.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 72.45 110.875 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.5 mt -52.42 -28.88 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.22 111.163 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.08 -19.32 26.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 71.44 112.554 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -38.69 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 70.35 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.35 50.38 1.88 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 32.44 112.499 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 5' ' ' ASP . 73.9 mt -51.72 -43.27 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 65.02 111.127 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.52 -24.94 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 51.31 112.514 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -146.19 26.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 74.13 110.84 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 17' ' ' VAL . 17.5 m -56.66 -39.06 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.42 111.151 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.36 -54.88 26.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 31.42 111.114 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -26.21 68.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.897 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -75.61 -58.52 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 75.05 110.951 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.793 HG12 HD23 ' A' ' 21' ' ' LEU . 93.6 t -53.47 -50.72 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 73.43 111.1 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.07 -30.74 76.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 72.21 112.488 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -76.41 -39.27 54.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 60.14 110.896 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -60.1 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.03 111.066 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.793 HD23 HG12 ' A' ' 17' ' ' VAL . 1.7 pp -61.29 -29.38 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.918 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.02 33.49 5.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 60.25 112.511 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -68.51 -65.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 62.55 110.886 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -167.61 155.03 8.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 74.3 110.929 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER 76.4 -53.76 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 72.01 110.83 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.16 -50.3 74.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.12 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.55 -32.34 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 54.45 111.165 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -47.74 82.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.859 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.84 -44.95 72.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.932 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.56 -22.92 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 63.35 111.136 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -29.21 63.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.4 110.846 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -79.06 -40.08 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.864 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.0 mt -68.75 -26.02 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 75.51 111.097 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -54.46 13.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 64.5 110.887 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -26.42 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 72.21 110.901 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -42.65 82.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.892 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.6 -40.45 49.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 54.03 110.919 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -78.78 -0.34 30.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 52.31 110.834 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.497 -0.241 . . . . 60.42 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -36.2 67.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 61.0 111.172 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -60.96 -36.93 80.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.931 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -178.42 99.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.884 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.79 -44.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.43 110.848 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.18 -29.26 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 73.42 111.143 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.31 -20.16 9.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 62.5 112.46 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -31.21 71.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 64.34 110.944 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.29 -43.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 72.31 112.508 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 179.38 -30.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.368 . . . . 75.01 111.126 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.41 -30.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 52.43 112.512 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -146.95 20.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 65.51 110.884 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.0 t -71.13 -29.5 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.146 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.77 -58.48 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 43.24 111.084 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -30.17 71.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 71.15 110.935 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.88 -56.91 4.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 63.1 110.923 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 13' ' ' VAL . 89.6 t -63.65 -38.04 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 70.52 111.116 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.3 -28.66 73.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 75.34 112.498 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -34.28 58.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 74.44 110.871 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.21 -58.53 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 64.43 111.105 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.45 HD23 HG12 ' A' ' 17' ' ' VAL . 3.9 pp -56.88 -30.14 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 63.32 110.924 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.73 21.16 26.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 74.25 112.499 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -72.13 -170.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 73.31 110.876 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -166.39 71.64 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.902 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.22 -35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.893 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.68 -39.19 76.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 73.44 110.875 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.99 -32.44 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 61.21 111.175 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -47.87 82.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 70.53 110.864 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -68.67 -45.33 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 60.52 110.944 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.88 -23.96 67.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 62.25 111.064 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -29.88 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.868 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -78.73 -39.36 36.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 70.33 110.891 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.23 -25.98 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 71.34 111.119 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -55.81 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.873 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -65.01 -26.65 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.824 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -61.92 -44.51 96.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 61.45 110.903 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -78.02 -36.53 48.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.92 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.78 -0.33 29.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 64.24 110.866 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 64.32 110.877 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.456 -0.258 . . . . 34.43 112.456 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.28 -42.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.8 0.333 . . . . 53.31 111.13 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -70.24 -64.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 61.43 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.45 102.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 75.54 110.833 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.54 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.05 110.885 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.68 -32.49 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 74.04 111.11 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.32 -19.66 9.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 62.42 112.475 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -47.35 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 72.53 110.919 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' HA2' ' HB2' ' A' ' 14' ' ' ALA . . . -151.93 70.98 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 35.15 112.487 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.761 HG22 HG12 ' A' ' 13' ' ' VAL . 1.2 tt -54.16 -26.99 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 71.42 111.162 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.52 -10.56 1.71 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.795 -0.717 . . . . 73.11 112.519 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.31 -42.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 74.41 110.871 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.761 HG12 HG22 ' A' ' 10' ' ' ILE . 3.7 p -51.01 -45.69 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 64.54 111.156 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 13' ' ' VAL . . . -50.46 -44.9 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.102 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -70.49 -34.42 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 70.23 110.943 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.54 -59.8 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 74.12 110.889 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.46 -49.25 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 71.03 111.168 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 21' ' ' LEU . . . -52.61 -27.39 26.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 54.13 112.535 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -76.37 -44.43 36.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 71.35 110.925 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.94 -33.3 68.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 53.24 111.067 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 18' ' ' GLY . 30.8 mt -52.31 -43.88 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 73.24 110.928 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.4 42.36 1.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 41.31 112.504 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -72.54 -64.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 53.2 110.895 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.06 -72.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.918 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.1 p -52.02 -45.65 64.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.13 110.868 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.41 -42.14 81.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 63.2 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.46 -32.48 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 64.14 111.17 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -47.82 82.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.934 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -68.84 -44.72 72.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 73.15 110.918 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.99 -23.86 67.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.105 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.63 -30.28 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.87 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -39.11 38.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.854 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.33 -25.99 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 65.14 111.165 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -55.45 9.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.21 110.896 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -61.29 -26.26 67.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.907 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -68.32 -47.64 67.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 63.01 110.888 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -43.53 53.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 53.23 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.68 -0.41 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.885 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.0 t60 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.01 110.833 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.513 -0.235 . . . . 42.13 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 65.49 13.82 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 62.33 111.094 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -75.98 -33.26 59.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 74.22 110.908 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.16 19.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 74.15 110.849 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.15 -16.48 54.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 72.01 110.85 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.7 mt -51.53 -30.03 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.092 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.84 -4.28 9.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 23.24 112.471 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -82.01 -4.21 56.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 60.11 110.907 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.69 40.32 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 72.43 112.483 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 10' ' ' ILE . 7.8 mt -152.52 18.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 75.01 111.079 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.25 -45.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 70.31 112.474 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -145.91 -41.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 54.51 110.834 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 17' ' ' VAL . 59.8 t -55.3 -25.51 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 73.21 111.154 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.16 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.03 111.076 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -64.73 -24.51 67.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.897 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -56.96 4.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.88 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.712 HG12 HD23 ' A' ' 21' ' ' LEU . 98.2 t -64.27 -49.67 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 53.51 111.16 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.33 -26.07 50.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 52.2 112.478 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -76.14 -41.09 51.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 73.22 110.859 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.81 -51.86 30.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 73.23 111.089 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.712 HD23 HG12 ' A' ' 17' ' ' VAL . 1.7 pp -71.98 -28.86 63.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 73.02 110.884 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.46 19.66 51.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 75.3 112.472 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.72 -67.59 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.855 0.359 . . . . 71.31 110.858 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.19 -72.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.922 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 p -52.07 -45.54 64.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.849 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.43 -42.22 81.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 73.44 110.825 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.46 -32.39 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 53.44 111.165 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -47.84 82.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -68.88 -44.75 72.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.935 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.1 -23.74 67.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.31 111.071 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -71.77 -30.1 65.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 41.45 110.818 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -78.63 -39.2 37.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.01 110.869 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.37 -25.98 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 65.15 111.15 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -55.58 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.915 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -26.2 53.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 64.13 110.853 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -69.21 -40.36 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -78.77 -46.53 18.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 64.43 110.913 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -78.82 -0.27 29.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.908 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 53.4 110.864 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.508 -0.237 . . . . 75.14 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 73.2 -0.79 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 33.42 111.127 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -79.15 -30.84 43.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.911 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -178.37 99.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 62.02 110.872 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.87 -45.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 60.23 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.5 mt -67.23 -24.18 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 74.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.686 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -131.68 10.53 5.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.697 -0.763 . . . . 74.43 112.486 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -64.82 -24.63 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 71.31 110.864 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.61 46.25 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 50.32 112.483 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -57.6 -72.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 75.42 111.087 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.84 -31.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 72.33 112.48 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -92.69 -32.66 14.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 72.23 110.899 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.686 HG11 ' HA2' ' A' ' 7' ' ' GLY . 15.9 m -52.44 -37.67 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 72.41 111.136 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.33 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.113 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -26.74 66.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.888 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -78.79 -58.35 3.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 65.54 110.949 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.669 HG12 HD23 ' A' ' 21' ' ' LEU . 60.6 t -51.89 -53.69 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 54.42 111.109 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.26 -30.26 64.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 71.35 112.519 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.36 -42.53 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 73.51 110.907 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 -60.42 2.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 51.32 111.051 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.669 HD23 HG12 ' A' ' 17' ' ' VAL . 3.1 pp -56.86 -29.39 62.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.883 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.02 -26.33 53.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 54.2 112.49 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -26.42 65.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.875 0.369 . . . . 55.02 110.885 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 45.86 75.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 72.25 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.97 -35.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.881 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.38 -45.43 93.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.09 -33.28 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.25 111.147 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.59 83.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 55.22 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.79 -44.63 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 64.52 110.885 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.18 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.094 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -72.39 -28.73 63.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 71.13 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -79.54 -40.82 28.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.866 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mt -68.06 -26.0 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 71.41 111.089 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -55.44 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 54.33 110.893 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -58.52 -26.77 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 75.51 110.851 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -36.99 79.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 63.24 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -77.07 -44.15 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 35.42 110.895 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -0.31 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.928 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.866 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.489 -0.245 . . . . 54.53 112.489 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER -168.13 -38.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 71.23 111.132 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -55.1 -56.33 21.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 73.31 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.23 101.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 52.43 110.911 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.43 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.886 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.0 mp -67.35 -12.84 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 50.13 111.112 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.2 -34.02 4.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 70.24 112.514 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -33.26 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 73.44 110.855 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.52 100.37 0.33 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.737 . . . . 70.52 112.478 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 tp -163.87 -36.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 61.45 111.165 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.07 31.3 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.754 . . . . 52.54 112.46 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -145.54 24.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 74.5 110.881 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG22 ' CG2' ' A' ' 17' ' ' VAL . 10.0 p -57.39 -30.51 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 64.2 111.17 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.12 -57.17 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 51.3 111.129 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -69.58 -25.18 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.05 110.899 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -79.13 -58.82 3.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 73.03 110.937 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG2' HG22 ' A' ' 13' ' ' VAL . 97.2 t -62.13 -33.97 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 72.33 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.1 -30.97 77.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 53.34 112.511 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -32.12 57.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 65.23 110.926 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -59.64 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 61.2 111.108 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.55 -26.01 40.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.921 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.02 -30.71 30.74 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.686 -0.769 . . . . 74.45 112.517 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -170.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 74.22 110.889 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 tp -166.62 67.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 52.52 110.879 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.79 -36.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 60.42 110.845 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.56 -39.21 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.95 -32.42 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.2 111.148 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -47.88 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 71.11 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -68.64 -45.52 71.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.93 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.65 -24.19 67.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 61.32 111.12 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -70.91 -30.14 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 70.34 110.855 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -78.66 -39.07 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 75.12 110.878 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.39 -25.92 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 62.23 111.146 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -55.66 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 54.15 110.869 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -59.27 -26.22 64.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 72.51 110.868 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -32.41 71.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 53.53 110.951 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -75.78 -52.55 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.933 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -78.77 -0.34 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 51.11 110.913 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.834 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.8 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.869 0.366 . . . . 60.21 111.105 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -57.28 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 60.54 111.055 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -26.09 68.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.34 110.969 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -74.79 -58.51 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 72.15 110.981 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 13' ' ' VAL . 93.9 t -53.59 -50.38 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.32 111.099 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.76 77.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 72.13 112.5 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -76.41 -39.17 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 65.23 110.913 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.13 68.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.125 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 17' ' ' VAL . 38.3 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 60.51 110.906 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.859 0.361 . . . . 64.24 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.3 -43.65 96.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.34 -33.24 62.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 72.45 111.136 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -47.65 84.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.534 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.88 -44.72 72.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 74.54 110.895 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.19 -23.2 67.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 71.22 111.097 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -72.39 -27.95 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 73.3 110.876 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -80.7 -42.3 22.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 64.31 110.885 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.96 -26.13 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.51 111.14 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -55.13 10.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 54.22 110.884 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -28.68 66.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.44 110.86 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -71.29 -41.33 70.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.897 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -69.98 -51.94 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 70.13 110.861 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -78.74 -0.36 29.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 53.42 110.888 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.911 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.57 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.5 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.841 0.353 . . . . 31.33 111.147 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.15 -63.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 61.23 111.125 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -56.2 -32.78 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 62.4 110.932 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -62.07 -58.2 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 75.03 110.967 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 13' ' ' VAL . 56.0 t -56.68 -42.39 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.125 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.17 -32.33 63.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 72.55 112.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -39.93 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 75.52 110.865 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.21 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.22 111.104 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.7 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 61.24 110.9 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.881 0.372 . . . . 64.31 110.863 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.45 -44.58 76.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 54.22 110.853 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.12 -32.34 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.145 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -47.92 83.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 61.11 110.91 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -66.92 -43.88 82.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.72 81.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.41 111.107 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -59.69 -26.81 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 71.21 110.862 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -41.95 60.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 54.53 110.915 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.82 -24.37 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 61.33 111.126 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -72.76 -50.25 25.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -62.99 -29.87 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.33 110.841 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -71.11 -46.35 61.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.14 110.854 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -67.25 -49.54 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.931 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -78.8 -0.38 30.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.832 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.9 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.845 0.355 . . . . 41.43 111.098 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -57.83 8.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 54.55 111.084 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -36.66 72.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.924 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -59.75 -56.92 15.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.939 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 13' ' ' VAL . 76.1 t -52.42 -41.92 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 71.54 111.107 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.24 -39.77 97.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 55.44 112.47 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -75.45 -27.15 58.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 65.53 110.857 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.07 -53.75 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.135 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 71.44 110.933 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.872 0.368 . . . . 53.04 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.85 -53.19 59.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 55.34 110.856 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.8 t -54.9 -32.44 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 70.04 111.143 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -63.28 -48.72 76.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 71.35 110.896 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.481 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -60.95 -44.47 97.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.41 110.902 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.41 66.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 52.14 111.129 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -27.0 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.84 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -81.22 -41.41 22.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.841 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -68.35 -25.96 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 34.04 111.111 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -48.51 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -70.03 -30.19 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -27.77 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 70.2 110.868 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -76.0 -53.87 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 63.15 110.905 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -0.42 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.51 110.927 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.897 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.0 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.871 0.367 . . . . 51.01 111.163 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.73 -58.64 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 70.43 111.123 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.16 -30.32 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.923 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.74 -56.88 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 71.25 110.902 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 13' ' ' VAL . 88.2 t -63.57 -38.02 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.138 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -64.23 -28.78 73.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.792 -0.718 . . . . 51.33 112.461 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.42 -34.29 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 73.54 110.882 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.14 -58.45 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 52.01 111.062 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.462 HD23 HG12 ' A' ' 17' ' ' VAL . 4.6 pp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 63.34 110.936 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.864 0.364 . . . . 75.53 110.812 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -52.94 -58.23 7.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.842 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t -51.29 -32.25 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.136 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -48.0 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 40.35 110.868 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.538 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -69.97 -45.7 66.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 75.3 110.937 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.45 -21.8 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 61.23 111.102 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -73.1 -27.84 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 63.1 110.867 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -40.93 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 73.24 110.846 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.22 -26.01 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.2 111.129 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -55.29 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 64.02 110.882 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 ptt85 -65.93 -26.98 67.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 70.1 110.87 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -71.89 -30.01 64.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.879 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -75.62 -55.24 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.51 110.917 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -78.73 -0.36 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.898 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 75.4 110.866 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.2 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.853 0.359 . . . . 73.12 111.13 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.74 -68.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 65.41 111.105 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.14 -39.83 69.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.05 110.95 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -50.51 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 65.04 110.92 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 13' ' ' VAL . 65.9 t -61.71 -38.44 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 43.21 111.18 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.94 -32.84 76.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 64.3 112.459 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.26 -38.84 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 75.25 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.79 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 51.51 111.108 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.93 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.927 0.394 . . . . 74.24 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.43 -42.02 81.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.867 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.59 -32.48 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 75.43 111.113 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -47.82 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.05 110.922 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.81 -44.99 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 75.03 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.82 67.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 71.22 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -71.53 -30.09 65.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 70.24 110.85 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -78.7 -39.18 37.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 73.21 110.926 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.5 mt -69.29 -25.94 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 55.24 111.153 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -55.33 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 65.11 110.88 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -61.49 -26.42 67.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -69.81 -30.48 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.45 110.889 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -75.95 -53.59 8.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.892 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.78 -0.33 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.851 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 70.24 110.876 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.832 0.349 . . . . 74.53 111.075 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -51.73 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 63.02 111.086 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -33.68 74.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.926 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -51.87 53.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.922 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 13' ' ' VAL . 39.1 t -52.12 -44.56 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.35 111.14 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.21 -37.4 59.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 74.45 112.514 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -70.91 -41.98 70.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 73.34 110.845 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 -31.37 72.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 60.24 111.136 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 63.21 110.896 -179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 74.04 110.832 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.48 -42.07 81.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.835 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.58 -32.42 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 52.51 111.13 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -47.85 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.88 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.88 -44.77 72.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.4 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -23.8 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 61.41 111.109 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -71.69 -30.11 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 70.25 110.832 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -78.66 -39.21 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.883 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.25 -26.02 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 70.55 111.149 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -53.99 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.43 110.907 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -26.22 64.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 54.32 110.878 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -48.64 80.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.915 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -34.17 53.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 72.04 110.859 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -78.74 -0.34 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 72.41 110.91 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.0 t60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.835 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.568 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.8 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.851 0.357 . . . . 61.41 111.144 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.51 -57.28 9.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.083 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -64.24 -25.05 67.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 54.11 110.938 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -77.4 -58.72 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.907 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 13' ' ' VAL . 84.9 t -56.09 -54.06 31.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 73.12 111.125 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.37 60.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 73.13 112.489 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -76.74 -43.57 36.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 61.41 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.64 -30.9 67.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 61.43 111.071 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 75.42 110.915 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.844 0.354 . . . . 50.3 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.39 -38.14 71.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.891 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.0 t -67.13 -32.35 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.14 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -47.81 82.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.941 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.99 -44.96 71.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.945 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -23.06 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 10.11 111.098 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 t -72.37 -29.46 63.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 71.41 110.833 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -78.88 -39.96 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 74.42 110.917 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.2 mt -68.78 -26.02 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.32 111.089 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -55.42 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.86 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -26.19 68.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 74.51 110.873 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -69.42 -38.87 78.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.15 110.893 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -46.73 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 71.41 110.896 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.71 -0.33 29.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.903 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 55.34 110.879 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 17' ' ' VAL . 17.5 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.356 . . . . 72.03 111.176 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -54.66 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 62.43 111.091 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.45 -26.22 68.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.912 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -75.8 -58.52 3.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 74.51 110.908 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.71 HG12 HD23 ' A' ' 21' ' ' LEU . 92.8 t -53.67 -49.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 53.12 111.143 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.05 -30.99 79.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 61.35 112.494 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -76.35 -38.65 55.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 54.33 110.91 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.76 -52.93 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.32 111.091 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.71 HD23 HG12 ' A' ' 17' ' ' VAL . 1.6 pp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 63.52 110.876 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.845 0.355 . . . . 70.23 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.95 -43.82 63.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.42 110.863 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.21 -32.39 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.133 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -47.94 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.881 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.74 -47.61 65.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.931 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.53 -22.78 66.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 71.21 111.139 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -72.74 -29.24 63.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.86 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -78.79 -39.8 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.98 -25.96 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.02 111.139 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -55.27 13.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 43.34 110.886 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -26.3 68.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 65.02 110.846 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -68.0 -42.86 80.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.89 -42.47 27.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.53 110.901 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.74 -0.35 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.32 110.907 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.7 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.868 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.2 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.89 0.376 . . . . 60.21 111.127 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.04 -69.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 41.22 111.126 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -52.4 -34.05 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.907 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -55.88 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.25 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 13' ' ' VAL . 88.2 t -56.63 -48.13 81.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 65.21 111.121 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.494 ' HA2' HD12 ' A' ' 21' ' ' LEU . . . -52.92 -35.01 46.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 51.14 112.531 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -76.29 -37.24 57.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 73.15 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -27.36 62.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 45.13 111.068 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.494 HD12 ' HA2' ' A' ' 18' ' ' GLY . 16.4 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 62.32 110.89 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.904 0.383 . . . . 74.53 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -57.0 -45.1 83.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.863 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.8 -32.33 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 71.24 111.174 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -47.93 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 64.24 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.95 -44.63 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.953 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -23.27 67.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 64.31 111.072 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -72.34 -29.67 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.835 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -39.55 35.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 74.45 110.914 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -69.06 -25.96 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.24 111.106 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -55.34 9.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.835 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -62.01 -26.45 68.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 62.22 110.84 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -40.98 87.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 53.45 110.875 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -42.45 36.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 70.52 110.921 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -0.28 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.899 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.879 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 17' ' ' VAL . 9.7 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.846 0.355 . . . . 70.34 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.55 -55.51 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.34 111.106 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -25.7 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 71.45 110.922 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -77.43 -58.59 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.888 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.906 HG12 HD23 ' A' ' 21' ' ' LEU . 97.0 t -55.11 -47.95 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 73.45 111.112 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.53 -31.88 81.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 53.32 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -76.57 -38.56 54.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.23 110.926 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -57.56 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 60.33 111.075 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.906 HD23 HG12 ' A' ' 17' ' ' VAL . 1.6 pp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.899 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.863 0.363 . . . . 73.45 110.881 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -52.22 -43.17 64.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 60.35 110.89 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -66.45 -32.36 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 53.01 111.102 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -47.85 82.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.918 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.9 -46.99 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.2 110.918 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -22.96 67.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.04 111.122 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.51 -29.27 63.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.847 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -78.95 -40.05 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.815 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.84 -25.95 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 64.31 111.172 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.88 -56.03 15.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.52 110.866 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -61.08 -26.29 67.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.861 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -43.14 73.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 72.31 110.904 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -77.35 -43.07 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.913 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -0.32 29.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 72.41 110.914 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.835 179.887 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.556 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.4 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.798 0.333 . . . . 63.44 111.082 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -54.88 25.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.33 111.101 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -65.48 -26.29 67.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.911 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -77.33 -58.7 3.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 72.03 110.868 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.723 HG12 HD23 ' A' ' 21' ' ' LEU . 98.9 t -54.84 -48.91 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 73.31 111.142 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.99 -31.69 81.57 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 72.54 112.515 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -76.66 -38.65 54.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 54.13 110.872 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.95 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.112 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.723 HD23 HG12 ' A' ' 17' ' ' VAL . 1.7 pp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 63.31 110.896 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.868 0.366 . . . . 72.24 110.822 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -53.47 -58.24 7.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.851 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.34 -31.89 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 72.32 111.13 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.12 -40.89 95.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.13 110.858 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.543 ' N ' HE21 ' A' ' 29' ' ' GLN . 3.0 mm-40 -68.03 -42.97 79.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.928 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.92 94.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 65.3 111.152 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -23.88 63.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.43 110.855 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -81.08 -43.57 19.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.827 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.7 mt -66.54 -26.01 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.123 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -53.52 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 71.23 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -69.31 -26.25 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 71.31 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -69.31 -47.13 65.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 43.15 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -73.58 -45.9 50.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 71.33 110.951 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.77 -0.32 29.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 44.42 110.901 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.887 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 17' ' ' VAL . 11.7 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.835 0.35 . . . . 74.12 111.114 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 -59.04 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 72.3 111.12 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -62.99 -29.84 71.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 53.02 110.93 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -73.18 -57.26 4.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 64.14 110.925 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 13' ' ' VAL . 88.7 t -63.25 -37.95 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 51.34 111.144 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.81 -28.91 73.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 65.53 112.498 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -34.93 58.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 63.34 110.921 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.14 -47.43 51.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.111 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 53.34 110.942 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.832 0.349 . . . . 71.53 110.816 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.42 -39.14 75.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.871 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.07 -32.42 57.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 73.52 111.153 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -47.79 82.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.927 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.68 -45.44 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 72.14 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.85 -23.92 67.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 41.14 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -29.89 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.0 110.883 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -78.72 -39.43 36.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 65.4 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.11 -26.03 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.141 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -55.96 11.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.891 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -64.63 -26.75 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 72.21 110.89 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -71.96 -41.9 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.904 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -69.84 -50.72 39.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 71.53 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.78 -0.35 30.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 73.0 110.934 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.824 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.8 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.81 0.338 . . . . 71.34 111.129 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -60.07 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 60.41 111.089 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -25.84 68.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.888 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -76.07 -58.55 3.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 71.14 110.915 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 13' ' ' VAL . 90.4 t -59.04 -43.51 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 65.11 111.101 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.02 -32.38 34.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 72.44 112.487 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -44.49 34.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 73.25 110.9 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.99 75.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 42.43 111.051 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 63.24 110.942 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.85 0.357 . . . . 75.44 110.849 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -58.66 -51.3 70.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.34 -32.45 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 73.5 111.174 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -47.63 85.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 62.43 110.869 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.535 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -69.07 -44.96 71.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 51.21 110.955 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.37 -22.47 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 52.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.09 -27.79 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 61.44 110.845 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -79.66 -41.11 27.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.7 mt -68.0 -26.05 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 63.43 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -54.56 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 62.21 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.52 -26.37 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 52.05 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -29.63 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.5 110.902 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -77.77 -50.42 12.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 55.34 110.87 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -78.84 -0.28 29.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.3 110.901 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.6 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.862 179.831 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' VAL . 67.1 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.79 0.329 . . . . 74.41 111.116 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 73.12 111.107 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.9 -28.52 69.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.903 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -74.31 -57.39 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 71.51 110.908 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.498 HG12 HD23 ' A' ' 21' ' ' LEU . 92.5 t -63.96 -38.04 81.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 64.32 111.11 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -64.3 -28.56 73.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 72.14 112.465 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -76.66 -34.35 58.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 74.43 110.875 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.22 -57.7 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 51.12 111.07 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.498 HD23 HG12 ' A' ' 17' ' ' VAL . 4.6 pp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 63.33 110.893 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.879 0.371 . . . . 43.11 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.39 -45.22 94.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 64.23 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.2 t -64.42 -33.22 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 63.42 111.124 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -47.61 83.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 61.35 110.854 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.541 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.79 -44.73 72.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.55 110.874 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.87 -23.33 67.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 71.33 111.122 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -72.25 -28.61 63.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 45.04 110.86 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -40.98 27.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 72.25 110.899 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.06 -25.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 54.3 111.157 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -56.07 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 62.12 110.874 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -62.12 -26.67 68.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 70.43 110.867 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -71.99 -37.8 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.877 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -47.35 16.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 70.5 110.94 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -78.74 -0.36 30.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.896 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 72.51 110.868 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 17' ' ' VAL . 17.5 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.863 0.363 . . . . 73.42 111.151 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.36 -54.88 26.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 31.42 111.114 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -26.21 68.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.897 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -75.61 -58.52 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 75.05 110.951 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.793 HG12 HD23 ' A' ' 21' ' ' LEU . 93.6 t -53.47 -50.72 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 73.43 111.1 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.07 -30.74 76.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 72.21 112.488 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -76.41 -39.27 54.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 60.14 110.896 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -60.1 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.03 111.066 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.793 HD23 HG12 ' A' ' 17' ' ' VAL . 1.7 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.918 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.843 0.354 . . . . 72.01 110.83 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.16 -50.3 74.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.12 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.55 -32.34 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 54.45 111.165 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -47.74 82.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.859 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.544 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.84 -44.95 72.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.932 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.56 -22.92 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 63.35 111.136 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -29.21 63.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.4 110.846 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -79.06 -40.08 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.864 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.0 mt -68.75 -26.02 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 75.51 111.097 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -54.46 13.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 64.5 110.887 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -26.42 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 72.21 110.901 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -42.65 82.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.892 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.6 -40.45 49.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 54.03 110.919 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -78.78 -0.34 30.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 52.31 110.834 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.0 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.825 0.345 . . . . 74.43 111.146 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.77 -58.48 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 43.24 111.084 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -30.17 71.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 71.15 110.935 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.88 -56.91 4.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 63.1 110.923 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 13' ' ' VAL . 89.6 t -63.65 -38.04 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 70.52 111.116 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.3 -28.66 73.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 75.34 112.498 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -34.28 58.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 74.44 110.871 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.21 -58.53 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 64.43 111.105 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.45 HD23 HG12 ' A' ' 17' ' ' VAL . 3.9 pp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 63.32 110.924 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.855 0.36 . . . . 73.25 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.68 -39.19 76.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 73.44 110.875 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.99 -32.44 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 61.21 111.175 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -47.87 82.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 70.53 110.864 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.67 -45.33 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 60.52 110.944 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.88 -23.96 67.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 62.25 111.064 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -29.88 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.868 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -78.73 -39.36 36.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 70.33 110.891 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.23 -25.98 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 71.34 111.119 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -55.81 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.873 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -65.01 -26.65 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.824 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -61.92 -44.51 96.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 61.45 110.903 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -78.02 -36.53 48.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.92 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.78 -0.33 29.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 64.24 110.866 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 64.32 110.877 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 14' ' ' ALA . 3.7 p . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.817 0.342 . . . . 64.54 111.156 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 13' ' ' VAL . . . -50.46 -44.9 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.102 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -70.49 -34.42 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 70.23 110.943 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.54 -59.8 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 74.12 110.889 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.46 -49.25 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 71.03 111.168 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 21' ' ' LEU . . . -52.61 -27.39 26.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 54.13 112.535 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -76.37 -44.43 36.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 71.35 110.925 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.94 -33.3 68.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 53.24 111.067 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 18' ' ' GLY . 30.8 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 73.24 110.928 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.1 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.917 0.389 . . . . 70.13 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.41 -42.14 81.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 63.2 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.46 -32.48 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 64.14 111.17 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -47.82 82.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.934 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.84 -44.72 72.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 73.15 110.918 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.99 -23.86 67.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.105 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.63 -30.28 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.87 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -39.11 38.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.854 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.33 -25.99 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 65.14 111.165 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -55.45 9.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.21 110.896 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -61.29 -26.26 67.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.907 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -68.32 -47.64 67.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 63.01 110.888 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -43.53 53.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 53.23 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.68 -0.41 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.885 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.0 t60 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.01 110.833 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 17' ' ' VAL . 59.8 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.86 0.362 . . . . 73.21 111.154 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.16 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.03 111.076 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -64.73 -24.51 67.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.897 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -56.96 4.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.88 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.712 HG12 HD23 ' A' ' 21' ' ' LEU . 98.2 t -64.27 -49.67 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 53.51 111.16 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.33 -26.07 50.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 52.2 112.478 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -76.14 -41.09 51.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 73.22 110.859 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.81 -51.86 30.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 73.23 111.089 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.712 HD23 HG12 ' A' ' 17' ' ' VAL . 1.7 pp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 73.02 110.884 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.865 0.364 . . . . 71.42 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.43 -42.22 81.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 73.44 110.825 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.46 -32.39 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 53.44 111.165 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -47.84 82.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.88 -44.75 72.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.935 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.1 -23.74 67.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.31 111.071 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -71.77 -30.1 65.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 41.45 110.818 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -78.63 -39.2 37.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.01 110.869 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.37 -25.98 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 65.15 111.15 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -55.58 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.915 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -26.2 53.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 64.13 110.853 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -69.21 -40.36 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -78.77 -46.53 18.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 64.43 110.913 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -78.82 -0.27 29.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.908 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 53.4 110.864 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.9 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.885 0.374 . . . . 72.41 111.136 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.33 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.113 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -26.74 66.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.888 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -78.79 -58.35 3.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 65.54 110.949 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.669 HG12 HD23 ' A' ' 21' ' ' LEU . 60.6 t -51.89 -53.69 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 54.42 111.109 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.26 -30.26 64.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 71.35 112.519 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.36 -42.53 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 73.51 110.907 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 -60.42 2.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 51.32 111.051 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.669 HD23 HG12 ' A' ' 17' ' ' VAL . 3.1 pp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.883 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.884 0.373 . . . . 74.51 110.881 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.38 -45.43 93.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.09 -33.28 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.25 111.147 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.59 83.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 55.22 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.524 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.79 -44.63 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 64.52 110.885 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.18 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.094 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -72.39 -28.73 63.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 71.13 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -79.54 -40.82 28.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.866 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mt -68.06 -26.0 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 71.41 111.089 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -55.44 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 54.33 110.893 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -58.52 -26.77 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 75.51 110.851 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -36.99 79.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 63.24 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -77.07 -44.15 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 35.42 110.895 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -0.31 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.928 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.866 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.402 HG22 ' CG2' ' A' ' 17' ' ' VAL . 10.0 p . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.875 0.369 . . . . 64.2 111.17 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.12 -57.17 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 51.3 111.129 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -69.58 -25.18 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.05 110.899 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -79.13 -58.82 3.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 73.03 110.937 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG2' HG22 ' A' ' 13' ' ' VAL . 97.2 t -62.13 -33.97 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 72.33 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.1 -30.97 77.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 53.34 112.511 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -32.12 57.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 65.23 110.926 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -59.64 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 61.2 111.108 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.921 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.903 0.382 . . . . 60.42 110.845 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.56 -39.21 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.95 -32.42 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.2 111.148 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -47.88 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 71.11 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.64 -45.52 71.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.93 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.65 -24.19 67.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 61.32 111.12 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -70.91 -30.14 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 70.34 110.855 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -78.66 -39.07 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 75.12 110.878 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.39 -25.92 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 62.23 111.146 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -55.66 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 54.15 110.869 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -59.27 -26.22 64.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 72.51 110.868 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -32.41 71.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 53.53 110.951 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -75.78 -52.55 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.933 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -78.77 -0.34 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 51.11 110.913 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.834 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.53 -0.228 . . . . 53.24 112.53 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.3 -42.09 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.34 . . . . 53.24 111.172 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -56.58 -27.13 57.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 75.42 110.915 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.3 -26.17 23.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 65.24 110.904 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.72 -11.45 59.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 65.44 110.855 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 52.0 mm -51.83 -29.44 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.152 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.527 ' HA2' HG21 ' A' ' 13' ' ' VAL . . . -99.2 -15.56 32.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 60.14 112.48 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.06 -29.93 23.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.362 . . . . 72.11 110.939 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.61 45.47 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 44.31 112.465 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.0 mm -62.3 -16.96 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.357 . . . . 64.22 111.122 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.41 59.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 55.3 112.458 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 63.5 26.68 14.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 71.13 110.907 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.626 ' O ' HG23 ' A' ' 17' ' ' VAL . 18.8 m -56.44 -38.54 56.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 60.21 111.105 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -57.28 9.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 60.54 111.055 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -26.09 68.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 74.34 110.969 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -74.79 -58.51 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 72.15 110.981 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 13' ' ' VAL . 93.9 t -53.59 -50.38 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.32 111.099 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.76 77.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 72.13 112.5 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -76.41 -39.17 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.78 0.324 . . . . 65.23 110.913 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.13 68.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.125 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 17' ' ' VAL . 38.3 mt -58.44 -40.34 82.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 60.51 110.906 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -105.76 25.11 25.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 32.54 112.517 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -72.67 -171.21 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 74.44 110.896 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.0 -42.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 62.35 110.916 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -54.04 -27.95 35.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 64.24 110.863 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -60.3 -43.65 96.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.863 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 t -66.34 -33.24 62.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 72.45 111.136 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -47.65 84.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.534 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.88 -44.72 72.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 74.54 110.895 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.19 -23.2 67.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 71.22 111.097 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -72.39 -27.95 62.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 73.3 110.876 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -80.7 -42.3 22.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 64.31 110.885 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.6 mt -66.96 -26.13 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 73.51 111.14 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.58 -55.13 10.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 54.22 110.884 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -28.68 66.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.44 110.86 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -71.29 -41.33 70.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.897 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 tppt? -69.98 -51.94 28.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 70.13 110.861 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -78.74 -0.36 29.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 53.42 110.888 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.911 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.483 -0.247 . . . . 65.32 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.42 -41.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.797 0.332 . . . . 63.25 111.124 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.31 -28.58 59.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 64.21 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -90.36 46.49 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 70.14 110.897 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.19 -43.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 63.02 110.891 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.4 mt -66.68 -24.61 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.04 111.137 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.4 17.7 4.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 75.42 112.482 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.03 -25.74 34.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 71.44 110.919 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.34 47.51 0.92 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 62.41 112.438 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 mm -51.78 -37.89 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 74.12 111.122 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.56 -34.85 0.47 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.719 . . . . 44.02 112.525 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -152.83 26.82 0.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.846 0.355 . . . . 74.44 110.88 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.57 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.5 m -54.02 -38.25 36.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 31.33 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.15 -63.04 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 61.23 111.125 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -56.2 -32.78 64.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 62.4 110.932 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -62.07 -58.2 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 75.03 110.967 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 13' ' ' VAL . 56.0 t -56.68 -42.39 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 72.44 111.125 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.17 -32.33 63.14 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 72.55 112.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -39.93 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 75.52 110.865 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.26 -37.21 83.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.22 111.104 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.27 -26.05 64.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 61.24 110.9 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.7 32.47 3.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 71.22 112.502 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -173.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 73.03 110.868 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 tt -71.83 -45.36 61.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -44.29 64.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.863 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.45 -44.58 76.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 54.22 110.853 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.7 t -63.12 -32.34 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.22 111.145 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.0 -47.92 83.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 61.11 110.91 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -66.92 -43.88 82.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 64.42 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.71 -35.72 81.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.41 111.107 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t -59.69 -26.81 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 71.21 110.862 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -41.95 60.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 54.53 110.915 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.82 -24.37 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 61.33 111.126 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -72.76 -50.25 25.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 72.33 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -62.99 -29.87 71.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 72.33 110.841 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -71.11 -46.35 61.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.14 110.854 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -67.25 -49.54 64.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.931 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -78.8 -0.38 30.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.896 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.832 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.494 -0.242 . . . . 73.23 112.494 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -170.79 -74.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.79 0.329 . . . . 73.24 111.153 -179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -75.37 -6.75 51.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 75.1 110.921 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -147.17 38.16 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 72.53 110.857 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -158.14 -56.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.848 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.47 HD12 ' CG2' ' A' ' 17' ' ' VAL . 42.7 mm -67.53 -22.08 28.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 75.51 111.122 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.66 -21.52 7.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 70.42 112.488 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -46.92 77.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 73.21 110.917 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.09 46.97 2.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 75.34 112.509 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.2 mm -53.04 -39.0 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 60.43 111.144 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.31 -54.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 71.21 112.463 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.29 27.66 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.906 0.384 . . . . 74.22 110.904 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.9 m -55.34 -39.05 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 41.43 111.098 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -57.83 8.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 54.55 111.084 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -36.66 72.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 72.33 110.924 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -59.75 -56.92 15.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 72.21 110.939 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 13' ' ' VAL . 76.1 t -52.42 -41.92 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 71.54 111.107 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.24 -39.77 97.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 55.44 112.47 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -75.45 -27.15 58.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 65.53 110.857 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.07 -53.75 13.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 74.14 111.135 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.04 -26.67 64.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 71.44 110.933 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.8 48.17 0.98 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 71.22 112.489 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -72.02 -61.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 72.42 110.875 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.93 -63.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 63.31 110.927 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.21 -28.67 68.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 53.04 110.877 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -55.85 -53.19 59.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 55.34 110.856 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.8 t -54.9 -32.44 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 70.04 111.143 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -63.28 -48.72 76.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 71.35 110.896 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.481 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -60.95 -44.47 97.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 73.41 110.902 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.41 66.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 52.14 111.129 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -27.0 66.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.31 110.84 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 ttp180 -81.22 -41.41 22.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.841 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.6 mm -68.35 -25.96 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 34.04 111.111 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -48.51 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.917 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -70.03 -30.19 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.01 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -27.77 66.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 70.2 110.868 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -76.0 -53.87 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 63.15 110.905 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -0.42 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.51 110.927 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.897 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.491 -0.243 . . . . 64.24 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.2 p -55.65 -25.89 41.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.744 0.307 . . . . 64.23 111.119 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -27.11 68.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.426 . . . . 42.33 110.903 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.39 79.32 1.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 74.42 110.908 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -179.06 -35.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 65.25 110.835 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.487 ' O ' HG11 ' A' ' 13' ' ' VAL . 70.1 mt -67.16 -21.6 28.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 71.31 111.147 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.47 13.64 4.55 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 70.54 112.477 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -69.48 -24.62 63.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 61.52 110.97 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 147.45 47.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.69 -0.767 . . . . 75.11 112.457 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 47.1 mm -72.03 -39.92 66.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 72.42 111.12 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.89 -64.99 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 53.42 112.486 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -146.13 20.28 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 73.22 110.862 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.491 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.0 t -71.15 -29.4 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 51.01 111.163 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.73 -58.64 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 70.43 111.123 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -63.16 -30.32 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.923 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.74 -56.88 4.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 71.25 110.902 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 13' ' ' VAL . 88.2 t -63.57 -38.02 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.138 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.413 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -64.23 -28.78 73.45 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.792 -0.718 . . . . 51.33 112.461 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.42 -34.29 58.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 73.54 110.882 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.14 -58.45 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 52.01 111.062 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 22' ' ' GLY . 4.6 pp -54.37 -27.22 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 63.34 110.936 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.527 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -89.57 -23.41 33.77 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 75.31 112.461 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -73.33 -75.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 73.15 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.71 24.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 62.12 110.92 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -73.03 -49.26 29.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.812 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -52.94 -58.23 7.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.842 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.6 t -51.29 -32.25 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 72.53 111.136 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.69 -48.0 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 40.35 110.868 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.538 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -69.97 -45.7 66.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 75.3 110.937 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.45 -21.8 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 61.23 111.102 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -73.1 -27.84 61.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 63.1 110.867 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -40.93 29.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 73.24 110.846 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.22 -26.01 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.2 111.129 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -55.29 9.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 64.02 110.882 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.4 ptt85 -65.93 -26.98 67.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 70.1 110.87 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -71.89 -30.01 64.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.879 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.1 ttmt -75.62 -55.24 5.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 74.51 110.917 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -78.73 -0.36 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.898 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 75.4 110.866 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.481 -0.248 . . . . 64.02 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -162.93 -41.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.763 0.316 . . . . 43.51 111.131 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -57.85 -25.84 61.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 75.53 110.932 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.63 -26.0 23.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 53.53 110.852 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -79.71 -11.69 59.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.84 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 62.2 mt -51.36 -38.98 20.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.41 111.151 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.43 -21.44 10.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 35.0 112.481 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.97 -3.92 55.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.834 0.35 . . . . 71.13 110.934 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.827 ' HA2' ' HB2' ' A' ' 14' ' ' ALA . . . -158.77 42.57 0.48 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 75.31 112.523 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 HG21 ' A' ' 13' ' ' VAL . 63.2 mt -51.73 -36.28 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 43.41 111.127 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.79 -21.52 0.27 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 62.31 112.495 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.36 -40.2 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 74.43 110.911 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.2 m -50.08 -32.38 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.13 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.827 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . . . -53.74 -68.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 65.41 111.105 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.14 -39.83 69.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.05 110.95 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -50.51 69.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 65.04 110.92 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 13' ' ' VAL . 65.9 t -61.71 -38.44 80.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 43.21 111.18 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.94 -32.84 76.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 64.3 112.459 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.26 -38.84 55.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 75.25 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.79 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 51.51 111.108 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.6 mt -61.66 -25.93 67.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.93 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.06 28.09 4.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 74.23 112.505 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -72.57 -173.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 72.24 110.928 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.28 -28.38 67.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 55.15 110.87 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.0 p -52.03 -45.75 64.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.24 110.88 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.43 -42.02 81.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.867 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.59 -32.48 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 75.43 111.113 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -47.82 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.05 110.922 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.81 -44.99 72.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 75.03 110.917 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.0 -23.82 67.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 71.22 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m -71.53 -30.09 65.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 70.24 110.85 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -78.7 -39.18 37.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 73.21 110.926 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.5 mt -69.29 -25.94 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 55.24 111.153 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -55.33 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 65.11 110.88 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -61.49 -26.42 67.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -69.81 -30.48 68.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 74.45 110.889 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -75.95 -53.59 8.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.892 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.78 -0.33 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.851 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 70.24 110.876 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.455 -0.258 . . . . 73.2 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 m 65.45 13.87 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 72.2 111.168 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.2 m0 -76.01 -32.65 59.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 65.42 110.914 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.42 46.56 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 62.44 110.854 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -161.99 -43.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.87 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.15 -25.57 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 64.12 111.102 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.64 -20.05 8.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 63.14 112.453 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.52 -43.58 65.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 72.15 110.939 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.92 51.74 2.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 75.53 112.437 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.23 -71.43 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 72.33 111.085 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -180.0 -31.75 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 74.23 112.536 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 35.7 ttp180 -92.65 -28.26 16.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 73.02 110.91 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.9 m -51.83 -39.02 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 74.53 111.075 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.22 -51.73 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 63.02 111.086 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -33.68 74.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.926 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -51.87 53.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.922 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 13' ' ' VAL . 39.1 t -52.12 -44.56 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.35 111.14 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -54.21 -37.4 59.15 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 74.45 112.514 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -70.91 -41.98 70.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 73.34 110.845 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.64 -31.37 72.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 60.24 111.136 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.6 -26.0 41.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 63.21 110.896 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.07 53.14 0.81 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.71 -0.757 . . . . 73.14 112.492 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -162.19 20.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 73.43 110.895 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.16 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 74.21 110.913 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.5 t -52.09 -45.65 64.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.04 110.832 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.48 -42.07 81.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 72.25 110.835 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.58 -32.42 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 52.51 111.13 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -47.85 82.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.88 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.88 -44.77 72.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 62.4 110.931 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.05 -23.8 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 61.41 111.109 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -71.69 -30.11 65.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 70.25 110.832 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -78.66 -39.21 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.883 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.25 -26.02 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 70.55 111.149 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.9 -53.99 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.43 110.907 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.63 -26.22 64.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 54.32 110.878 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -48.64 80.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.915 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -34.17 53.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 72.04 110.859 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -78.74 -0.34 29.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 72.41 110.91 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 47.0 t60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.835 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.501 -0.24 . . . . 54.33 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.64 -40.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 74.42 111.108 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -64.52 -26.39 68.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 71.14 110.888 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.25 101.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 73.24 110.848 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.69 -33.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 75.34 110.902 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.56 ' O ' HD11 ' A' ' 10' ' ' ILE . 2.8 mp -67.38 -12.0 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 53.21 111.15 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.12 31.57 1.18 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.686 -0.768 . . . . 73.44 112.448 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -155.93 -40.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 62.32 110.918 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.06 4.0 67.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.746 . . . . 71.35 112.512 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.56 HD11 ' O ' ' A' ' 6' ' ' ILE . 91.0 mt -51.59 -74.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.387 . . . . 74.42 111.116 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.18 -30.15 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 74.12 112.492 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -92.73 -44.47 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 72.25 110.882 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.568 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.8 t -63.67 -28.47 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 61.41 111.144 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.51 -57.28 9.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.083 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -64.24 -25.05 67.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 54.11 110.938 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -77.4 -58.72 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 71.24 110.907 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 13' ' ' VAL . 84.9 t -56.09 -54.06 31.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 73.12 111.125 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.99 -30.37 60.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 73.13 112.489 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -76.74 -43.57 36.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.777 0.322 . . . . 61.41 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.64 -30.9 67.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 61.43 111.071 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.2 mt -56.03 -24.79 41.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 75.42 110.915 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.14 56.66 0.73 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 64.03 112.49 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.03 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.358 . . . . 72.33 110.905 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 tp 44.91 53.71 7.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 71.05 110.947 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 t -167.94 -38.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 50.3 110.838 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -56.39 -38.14 71.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.891 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.0 t -67.13 -32.35 57.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.14 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -47.81 82.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.941 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.99 -44.96 71.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 73.15 110.945 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.49 -23.06 67.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 10.11 111.098 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 t -72.37 -29.46 63.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 71.41 110.833 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -78.88 -39.96 33.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 74.42 110.917 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.2 mt -68.78 -26.02 31.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.32 111.089 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.43 -55.42 7.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.86 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -26.19 68.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 74.51 110.873 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -69.42 -38.87 78.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.15 110.893 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -46.73 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 71.41 110.896 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.71 -0.33 29.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.903 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 55.34 110.879 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.508 -0.237 . . . . 53.43 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -165.88 -40.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.731 0.301 . . . . 74.23 111.134 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 36.6 p90 -52.63 -37.68 58.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.971 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.37 102.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 61.23 110.866 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.49 ' O ' HG11 ' A' ' 13' ' ' VAL . 0.7 OUTLIER -177.9 -39.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 54.13 110.896 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.477 HG23 HG21 ' A' ' 17' ' ' VAL . 77.3 mt -64.19 -26.24 39.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 72.2 111.097 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.64 -20.94 9.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 24.34 112.478 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -52.13 -41.75 62.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 72.3 110.89 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.64 48.55 1.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 71.24 112.499 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.5 mt -54.21 -58.61 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 73.45 111.094 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.65 -25.88 0.19 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 73.02 112.498 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.39 26.13 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 74.4 110.873 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 17' ' ' VAL . 17.5 m -56.61 -39.04 60.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 72.03 111.176 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.4 -54.66 29.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 62.43 111.091 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.45 -26.22 68.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 72.23 110.912 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -75.8 -58.52 3.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 74.51 110.908 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.71 HG12 HD23 ' A' ' 21' ' ' LEU . 92.8 t -53.67 -49.87 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 53.12 111.143 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.05 -30.99 79.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.694 -0.765 . . . . 61.35 112.494 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -76.35 -38.65 55.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.768 0.318 . . . . 54.33 110.91 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.76 -52.93 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.32 111.091 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.71 HD23 HG12 ' A' ' 17' ' ' VAL . 1.6 pp -68.78 -26.4 65.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 63.52 110.876 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.58 21.27 43.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 71.52 112.463 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.77 -26.88 63.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 62.35 110.875 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.79 179.2 3.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 74.05 110.91 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.3 t 74.65 -66.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 70.23 110.844 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.95 -43.82 63.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.42 110.863 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 43.7 t -66.21 -32.39 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.133 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -47.94 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.881 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -68.74 -47.61 65.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.931 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.53 -22.78 66.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 71.21 111.139 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -72.74 -29.24 63.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.86 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -78.79 -39.8 34.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 72.31 110.905 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.7 mt -68.98 -25.96 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.02 111.139 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.12 -55.27 13.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 43.34 110.886 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -26.3 68.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 65.02 110.846 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -68.0 -42.86 80.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.9 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.89 -42.47 27.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 54.53 110.901 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -78.74 -0.35 29.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 71.32 110.907 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.7 t60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 73.52 110.868 179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.485 -0.246 . . . . 65.41 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.896 HG22 HD11 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -171.54 -41.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 73.13 111.191 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -73.06 -29.23 62.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.943 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.4 79.73 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 70.43 110.886 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -178.45 -42.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.896 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.896 HD11 HG22 ' A' ' 2' ' ' THR . 71.7 mt -62.28 -26.96 41.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.103 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.3 -19.53 7.08 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 52.4 112.488 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -29.32 26.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 75.42 110.878 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.817 ' HA2' ' HB2' ' A' ' 14' ' ' ALA . . . 96.75 50.11 1.85 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 34.31 112.498 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.4 mt -53.04 -36.48 24.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.86 0.362 . . . . 74.44 111.073 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.6 -21.5 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 42.24 112.49 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.38 -40.21 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 75.12 110.887 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.2 m -50.01 -32.39 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 60.21 111.127 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.817 ' HB2' ' HA2' ' A' ' 9' ' ' GLY . . . -57.04 -69.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 41.22 111.126 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -52.4 -34.05 46.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 70.32 110.907 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -55.88 28.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.25 110.922 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.518 ' CG2' HG22 ' A' ' 6' ' ' ILE . 88.2 t -56.63 -48.13 81.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 65.21 111.121 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.494 ' HA2' HD12 ' A' ' 21' ' ' LEU . . . -52.92 -35.01 46.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.776 -0.726 . . . . 51.14 112.531 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -76.29 -37.24 57.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 73.15 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -27.36 62.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 45.13 111.068 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.494 HD12 ' HA2' ' A' ' 18' ' ' GLY . 16.4 mt -56.4 -36.37 68.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 62.32 110.89 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.64 22.27 17.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 73.55 112.501 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -26.87 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.374 . . . . 71.23 110.914 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 tt 74.33 -66.5 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 73.22 110.934 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.8 m -51.95 -48.82 64.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 74.53 110.894 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -57.0 -45.1 83.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.863 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.8 -32.33 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 71.24 111.174 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -47.93 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 64.24 110.854 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.95 -44.63 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.953 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.42 -23.27 67.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 64.31 111.072 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -72.34 -29.67 64.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 75.12 110.835 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -39.55 35.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 74.45 110.914 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -69.06 -25.96 31.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.24 111.106 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -55.34 9.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.835 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -62.01 -26.45 68.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 62.22 110.84 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -40.98 87.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 53.45 110.875 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -42.45 36.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 70.52 110.921 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -0.28 29.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.899 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 72.42 110.879 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.478 -0.249 . . . . 65.22 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.17 -42.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 72.32 111.161 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -70.16 -25.94 63.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 70.25 110.928 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.03 -25.1 32.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 64.12 110.868 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -79.56 -9.46 59.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 73.24 110.864 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.8 mt -51.39 -40.7 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.22 111.114 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.13 -19.7 11.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.84 -0.695 . . . . 70.22 112.482 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.96 -44.71 88.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 74.23 110.9 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.65 42.12 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 25.13 112.489 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.2 tt -51.78 -32.61 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 73.11 111.14 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.61 -75.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 45.32 112.478 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.2 19.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 73.03 110.84 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.56 ' O ' HG23 ' A' ' 17' ' ' VAL . 9.7 t -71.17 -32.4 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 70.34 111.126 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.55 -55.51 20.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.34 111.106 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -65.36 -25.7 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 71.45 110.922 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -77.43 -58.59 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 74.43 110.888 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.906 HG12 HD23 ' A' ' 21' ' ' LEU . 97.0 t -55.11 -47.95 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 73.45 111.112 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.53 -31.88 81.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 53.32 112.472 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -76.57 -38.56 54.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 75.23 110.926 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -57.56 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 60.33 111.075 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.906 HD23 HG12 ' A' ' 17' ' ' VAL . 1.6 pp -68.36 -26.24 65.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.899 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.71 19.31 52.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.68 -0.772 . . . . 53.55 112.5 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.664 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.5 t-20 -72.55 -173.38 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 65.03 110.929 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.38 162.55 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 64.42 110.884 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 74.97 -65.07 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.881 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -52.22 -43.17 64.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 60.35 110.89 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 23' ' ' ASN . 42.9 t -66.45 -32.36 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 53.01 111.102 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -47.85 82.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.918 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.9 -46.99 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 72.2 110.918 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.93 -22.96 67.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 72.04 111.122 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.51 -29.27 63.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 74.04 110.847 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -78.95 -40.05 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 72.21 110.815 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.84 -25.95 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 64.31 111.172 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.88 -56.03 15.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 73.52 110.866 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -61.08 -26.29 67.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.861 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.53 -43.14 73.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 72.31 110.904 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -77.35 -43.07 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.913 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 -0.32 29.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 72.41 110.914 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 73.32 110.835 179.887 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.458 -0.257 . . . . 65.33 112.458 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -25.88 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 61.42 111.165 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -70.17 -26.76 64.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.913 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.22 101.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.261 -0.427 . . . . 70.14 110.864 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -179.51 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 70.11 110.903 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.0 mm -67.45 -12.6 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 64.22 111.104 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.76 -18.81 3.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 64.2 112.534 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.702 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -82.85 -70.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 62.1 110.913 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.39 93.4 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 53.03 112.475 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.5 tp -164.03 -35.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 62.5 111.16 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.28 -29.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.735 . . . . 64.05 112.535 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.8 ttp85 -94.14 28.05 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 71.24 110.905 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.702 HG22 ' O ' ' A' ' 8' ' ' GLN . 6.4 t -70.98 -34.08 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 63.44 111.082 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.6 -54.88 25.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.33 111.101 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -65.48 -26.29 67.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.911 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -77.33 -58.7 3.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 72.03 110.868 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.723 HG12 HD23 ' A' ' 21' ' ' LEU . 98.9 t -54.84 -48.91 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 73.31 111.142 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.99 -31.69 81.57 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.702 -0.761 . . . . 72.54 112.515 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -76.66 -38.65 54.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 54.13 110.872 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.95 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.112 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.723 HD23 HG12 ' A' ' 17' ' ' VAL . 1.7 pp -54.71 -31.98 58.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 63.31 110.896 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.24 -19.77 68.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.75 . . . . 73.53 112.449 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.97 -171.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 73.45 110.915 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -166.27 -43.44 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 64.15 110.911 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.15 -30.51 26.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.24 110.822 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -53.47 -58.24 7.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.851 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.0 t -50.34 -31.89 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 72.32 111.13 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.12 -40.89 95.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.13 110.858 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.543 ' N ' HE21 ' A' ' 29' ' ' GLN . 3.0 mm-40 -68.03 -42.97 79.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.928 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.92 94.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 65.3 111.152 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -23.88 63.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.43 110.855 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -81.08 -43.57 19.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 74.34 110.827 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 56.7 mt -66.54 -26.01 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 72.21 111.123 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -53.52 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 71.23 110.919 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -69.31 -26.25 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 71.31 110.848 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -69.31 -47.13 65.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 43.15 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -73.58 -45.9 50.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 71.33 110.951 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.77 -0.32 29.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 44.42 110.901 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.887 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.499 -0.241 . . . . 54.41 112.499 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m 65.5 13.82 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 75.13 111.12 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -75.99 -32.94 59.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 72.51 110.924 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.36 102.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 73.12 110.899 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -178.95 -35.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 63.12 110.869 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.49 HG23 HD13 ' A' ' 10' ' ' ILE . 3.7 mp -67.16 -18.15 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 72.02 111.124 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.76 -36.09 5.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 33.53 112.5 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.688 ' O ' HG22 ' A' ' 13' ' ' VAL . 9.1 pt20 -82.46 -35.85 27.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 75.12 110.927 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.9 101.86 0.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 64.52 112.49 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.49 HD13 HG23 ' A' ' 6' ' ' ILE . 4.5 tp -164.59 -36.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 75.33 111.097 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.53 -26.7 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 75.42 112.508 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -93.68 22.18 5.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.855 0.36 . . . . 64.34 110.894 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 8' ' ' GLN . 11.7 t -66.94 -30.28 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.12 111.114 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.84 -59.04 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 72.3 111.12 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -62.99 -29.84 71.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 53.02 110.93 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -73.18 -57.26 4.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 64.14 110.925 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 13' ' ' VAL . 88.7 t -63.25 -37.95 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 51.34 111.144 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.81 -28.91 73.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 65.53 112.498 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -34.93 58.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 63.34 110.921 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.14 -47.43 51.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.111 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.8 mt -55.14 -26.51 39.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 53.34 110.942 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.61 -44.26 4.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 44.32 112.525 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -68.78 -59.67 2.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 62.13 110.908 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 tp 65.42 62.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 75.2 110.903 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.1 t -172.26 -37.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 71.53 110.816 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -57.42 -39.14 75.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.871 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.07 -32.42 57.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 73.52 111.153 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -47.79 82.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.927 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.68 -45.44 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 72.14 110.908 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.85 -23.92 67.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 41.14 111.105 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.24 -29.89 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.0 110.883 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -78.72 -39.43 36.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 65.4 110.873 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.11 -26.03 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.41 111.141 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.58 -55.96 11.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.891 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -64.63 -26.75 68.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 72.21 110.89 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -71.96 -41.9 67.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 73.12 110.904 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 tptt -69.84 -50.72 39.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 71.53 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.78 -0.35 30.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 73.0 110.934 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.824 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.467 -0.253 . . . . 62.4 112.467 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.43 13.86 9.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 74.41 111.163 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 34.4 m95 -75.97 -32.96 59.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.238 -0.437 . . . . 70.55 110.949 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.0 t0 64.24 14.84 8.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.33 110.878 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.68 -11.86 59.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 73.25 110.873 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.0 mt -51.65 -30.05 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 70.35 111.141 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.1 22.12 18.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.717 -0.754 . . . . 72.41 112.499 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.85 20.54 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.799 0.333 . . . . 71.24 110.874 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.44 ' HA2' HG21 ' A' ' 13' ' ' VAL . . . 160.49 85.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 63.44 112.491 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 tp -164.78 -36.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 71.31 111.153 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.36 -30.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 63.13 112.492 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -74.35 -26.21 59.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 71.41 110.868 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.55 ' O ' HG23 ' A' ' 17' ' ' VAL . 15.8 t -65.43 -27.11 40.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 71.34 111.129 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.47 -60.07 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 60.41 111.089 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -25.84 68.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.888 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -76.07 -58.55 3.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 71.14 110.915 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 13' ' ' VAL . 90.4 t -59.04 -43.51 89.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 65.11 111.101 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -52.02 -32.38 34.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 72.44 112.487 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -44.49 34.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.776 0.322 . . . . 73.25 110.9 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.84 -34.99 75.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 42.43 111.051 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.2 mt -51.67 -30.68 22.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 63.24 110.942 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.52 59.04 0.7 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 61.01 112.434 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.446 ' HB3' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -164.67 -39.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.892 0.377 . . . . 74.22 110.916 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -165.99 28.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 54.31 110.916 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -39.52 73.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 75.44 110.849 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -58.66 -51.3 70.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.34 -32.45 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 73.5 111.174 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -47.63 85.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 62.43 110.869 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.535 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -69.07 -44.96 71.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 51.21 110.955 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.37 -22.47 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 52.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.09 -27.79 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 61.44 110.845 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -79.66 -41.11 27.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.7 mt -68.0 -26.05 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 63.43 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -54.56 17.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 62.21 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.52 -26.37 68.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 52.05 110.868 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -29.63 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.5 110.902 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -77.77 -50.42 12.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 55.34 110.87 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 pttt -78.84 -0.28 29.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.3 110.901 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.6 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.862 179.831 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.471 -0.251 . . . . 75.12 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.27 -40.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.73 0.3 . . . . 61.24 111.078 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -62.24 2.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 63.23 110.905 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 t70 64.29 14.88 9.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 75.15 110.852 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.75 -12.15 59.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 63.21 110.859 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.33 -31.44 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 74.53 111.133 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.37 -16.99 7.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 44.55 112.457 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.76 -24.85 58.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 74.1 110.911 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.19 -0.08 44.25 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.75 -0.738 . . . . 70.1 112.487 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.2 tt -165.12 139.65 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 73.55 111.135 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 136.83 -54.5 0.72 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 75.42 112.443 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -145.35 13.97 1.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 55.24 110.828 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 17' ' ' VAL . 67.1 t -72.1 -25.94 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.116 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.28 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 73.12 111.107 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.9 -28.52 69.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.903 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -74.31 -57.39 3.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 71.51 110.908 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.498 HG12 HD23 ' A' ' 21' ' ' LEU . 92.5 t -63.96 -38.04 81.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 64.32 111.11 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -64.3 -28.56 73.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 72.14 112.465 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -76.66 -34.35 58.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 74.43 110.875 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.22 -57.7 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 51.12 111.07 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 22' ' ' GLY . 4.6 pp -55.27 -26.34 39.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 63.33 110.893 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.522 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -83.82 -31.76 25.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 62.32 112.468 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.58 -170.15 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 74.1 110.891 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp -166.29 75.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 60.41 110.924 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.28 -35.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 43.11 110.873 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -60.39 -45.22 94.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 64.23 110.887 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.2 t -64.42 -33.22 61.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 63.42 111.124 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -47.61 83.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 61.35 110.854 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.541 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.79 -44.73 72.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.55 110.874 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.87 -23.33 67.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 71.33 111.122 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.7 t -72.25 -28.61 63.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 45.04 110.86 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.66 -40.98 27.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 72.25 110.899 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.06 -25.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 54.3 111.157 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -56.07 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 62.12 110.874 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -62.12 -26.67 68.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 70.43 110.867 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -71.99 -37.8 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 74.25 110.877 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.18 -47.35 16.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 70.5 110.94 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -78.74 -0.36 30.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.896 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.3 t60 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 72.51 110.868 179.886 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.534 -0.226 . . . . 70.04 112.534 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m 65.48 13.87 9.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 74.52 111.108 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -76.05 -32.67 59.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 74.11 110.891 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.28 20.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 64.14 110.875 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.541 ' HB3' HD11 ' A' ' 10' ' ' ILE . 84.7 m-20 -80.22 -16.99 53.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 72.45 110.875 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.5 mt -52.42 -28.88 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.22 111.163 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.08 -19.32 26.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 71.44 112.554 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -38.69 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 70.35 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.35 50.38 1.88 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 32.44 112.499 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 5' ' ' ASP . 73.9 mt -51.72 -43.27 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 65.02 111.127 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.52 -24.94 1.21 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 51.31 112.514 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -146.19 26.24 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 74.13 110.84 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 17' ' ' VAL . 17.5 m -56.66 -39.06 60.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.42 111.151 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.36 -54.88 26.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 31.42 111.114 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -26.21 68.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.897 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -75.61 -58.52 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 75.05 110.951 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.793 HG12 HD23 ' A' ' 21' ' ' LEU . 93.6 t -53.47 -50.72 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 73.43 111.1 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.07 -30.74 76.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 72.21 112.488 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -76.41 -39.27 54.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 60.14 110.896 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.86 -60.1 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.03 111.066 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.793 HD23 HG12 ' A' ' 17' ' ' VAL . 1.7 pp -61.29 -29.38 69.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.918 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.02 33.49 5.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 60.25 112.511 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -68.51 -65.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 62.55 110.886 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -167.61 155.03 8.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 74.3 110.929 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER 76.4 -53.76 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 72.01 110.83 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -58.16 -50.3 74.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.12 110.883 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.55 -32.34 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 54.45 111.165 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -47.74 82.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.53 110.859 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.544 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.84 -44.95 72.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.932 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.56 -22.92 67.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 63.35 111.136 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -29.21 63.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.4 110.846 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -79.06 -40.08 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.864 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.0 mt -68.75 -26.02 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 75.51 111.097 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -54.46 13.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 64.5 110.887 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -26.42 64.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 72.21 110.901 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.5 -42.65 82.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 74.42 110.892 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.6 -40.45 49.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 54.03 110.919 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -78.78 -0.34 30.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 52.31 110.834 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.497 -0.241 . . . . 60.42 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -36.2 67.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 61.0 111.172 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -60.96 -36.93 80.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 72.41 110.931 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -178.42 99.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.884 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.79 -44.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.43 110.848 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.7 mt -67.18 -29.26 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 73.42 111.143 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.31 -20.16 9.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.709 -0.758 . . . . 62.5 112.46 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -31.21 71.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.351 . . . . 64.34 110.944 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.29 -43.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.732 . . . . 72.31 112.508 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 179.38 -30.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.368 . . . . 75.01 111.126 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.41 -30.32 0.41 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 52.43 112.512 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -146.95 20.46 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 65.51 110.884 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.0 t -71.13 -29.5 36.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 74.43 111.146 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.77 -58.48 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 43.24 111.084 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.31 -30.17 71.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 71.15 110.935 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.88 -56.91 4.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 63.1 110.923 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 13' ' ' VAL . 89.6 t -63.65 -38.04 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 70.52 111.116 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.3 -28.66 73.32 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.759 -0.734 . . . . 75.34 112.498 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -34.28 58.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 74.44 110.871 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.21 -58.53 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 64.43 111.105 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.45 HD23 HG12 ' A' ' 17' ' ' VAL . 3.9 pp -56.88 -30.14 63.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 63.32 110.924 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -109.73 21.16 26.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 74.25 112.499 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -72.13 -170.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.348 . . . . 73.31 110.876 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.5 tp -166.39 71.64 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.902 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.22 -35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 73.25 110.893 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.68 -39.19 76.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 73.44 110.875 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.99 -32.44 58.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 61.21 111.175 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.29 -47.87 82.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 70.53 110.864 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.67 -45.33 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 60.52 110.944 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.88 -23.96 67.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 62.25 111.064 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.27 -29.88 65.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.868 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -78.73 -39.36 36.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 70.33 110.891 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.23 -25.98 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 71.34 111.119 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.48 -55.81 8.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 72.31 110.873 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -65.01 -26.65 68.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 64.44 110.824 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -61.92 -44.51 96.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 61.45 110.903 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -78.02 -36.53 48.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.92 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.78 -0.33 29.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 64.24 110.866 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 64.32 110.877 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.456 -0.258 . . . . 34.43 112.456 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.28 -42.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.8 0.333 . . . . 53.31 111.13 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -70.24 -64.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 61.43 110.915 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.45 102.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 75.54 110.833 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.54 -42.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.05 110.885 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.8 mt -59.68 -32.49 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 74.04 111.11 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.32 -19.66 9.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 62.42 112.475 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -47.35 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 72.53 110.919 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' HA2' ' HB2' ' A' ' 14' ' ' ALA . . . -151.93 70.98 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 35.15 112.487 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.761 HG22 HG12 ' A' ' 13' ' ' VAL . 1.2 tt -54.16 -26.99 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 71.42 111.162 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 145.52 -10.56 1.71 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.795 -0.717 . . . . 73.11 112.519 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.31 -42.03 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 74.41 110.871 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.761 HG12 HG22 ' A' ' 10' ' ' ILE . 3.7 p -51.01 -45.69 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 64.54 111.156 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' N ' HG13 ' A' ' 13' ' ' VAL . . . -50.46 -44.9 55.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.102 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -70.49 -34.42 72.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 70.23 110.943 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.54 -59.8 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 74.12 110.889 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.46 -49.25 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 71.03 111.168 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' HD12 ' A' ' 21' ' ' LEU . . . -52.61 -27.39 26.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 54.13 112.535 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -76.37 -44.43 36.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 71.35 110.925 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.94 -33.3 68.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 53.24 111.067 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.427 HD12 ' HA2' ' A' ' 18' ' ' GLY . 30.8 mt -52.31 -43.88 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 73.24 110.928 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.4 42.36 1.43 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 41.31 112.504 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -72.54 -64.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 53.2 110.895 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.06 -72.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.918 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 85.1 p -52.02 -45.65 64.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.13 110.868 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -57.41 -42.14 81.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 63.2 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.46 -32.48 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 64.14 111.17 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.32 -47.82 82.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.934 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.84 -44.72 72.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 73.15 110.918 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.99 -23.86 67.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.12 111.105 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.63 -30.28 65.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.43 110.87 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -39.11 38.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.854 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.8 mt -69.33 -25.99 30.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 65.14 111.165 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -55.45 9.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 62.21 110.896 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -61.29 -26.26 67.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 71.24 110.907 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.0 tptt -68.32 -47.64 67.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 63.01 110.888 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -43.53 53.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 53.23 110.91 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.68 -0.41 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.885 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.0 t60 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 72.01 110.833 179.931 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.513 -0.235 . . . . 42.13 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 65.49 13.82 9.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 62.33 111.094 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 20.7 m95 -75.98 -33.26 59.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 74.22 110.908 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.16 19.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 74.15 110.849 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -80.15 -16.48 54.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 72.01 110.85 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 89.7 mt -51.53 -30.03 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.092 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.84 -4.28 9.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 23.24 112.471 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -82.01 -4.21 56.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 60.11 110.907 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.69 40.32 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 72.43 112.483 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 10' ' ' ILE . 7.8 mt -152.52 18.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 75.01 111.079 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.25 -45.01 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.787 -0.72 . . . . 70.31 112.474 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -145.91 -41.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 54.51 110.834 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 17' ' ' VAL . 59.8 t -55.3 -25.51 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 73.21 111.154 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.61 -60.16 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.03 111.076 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -64.73 -24.51 67.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.897 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -56.96 4.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 75.21 110.88 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.712 HG12 HD23 ' A' ' 21' ' ' LEU . 98.2 t -64.27 -49.67 80.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 53.51 111.16 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.33 -26.07 50.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.723 -0.751 . . . . 52.2 112.478 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -76.14 -41.09 51.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 73.22 110.859 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.81 -51.86 30.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 73.23 111.089 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.712 HD23 HG12 ' A' ' 17' ' ' VAL . 1.7 pp -71.98 -28.86 63.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 73.02 110.884 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -100.46 19.66 51.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 75.3 112.472 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -64.72 -67.59 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.855 0.359 . . . . 71.31 110.858 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -178.19 -72.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.922 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.7 p -52.07 -45.54 64.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 71.42 110.849 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -57.43 -42.22 81.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 73.44 110.825 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.46 -32.39 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 53.44 111.165 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.36 -47.84 82.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 75.43 110.892 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -68.88 -44.75 72.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.935 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.1 -23.74 67.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 71.31 111.071 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -71.77 -30.1 65.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 41.45 110.818 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -78.63 -39.2 37.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.01 110.869 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.1 mt -69.37 -25.98 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 65.15 111.15 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -55.58 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 72.41 110.915 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -26.2 53.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 64.13 110.853 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -69.21 -40.36 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.9 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -78.77 -46.53 18.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 64.43 110.913 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -78.82 -0.27 29.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.908 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 53.4 110.864 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.508 -0.237 . . . . 75.14 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 73.2 -0.79 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 33.42 111.127 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 3.2 m0 -79.15 -30.84 43.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.911 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -178.37 99.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 62.02 110.872 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.87 -45.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 60.23 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 84.5 mt -67.23 -24.18 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 74.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.686 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -131.68 10.53 5.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.697 -0.763 . . . . 74.43 112.486 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -64.82 -24.63 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 71.31 110.864 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.61 46.25 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 50.32 112.483 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -57.6 -72.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 75.42 111.087 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.84 -31.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 72.33 112.48 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -92.69 -32.66 14.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.369 . . . . 72.23 110.899 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.686 HG11 ' HA2' ' A' ' 7' ' ' GLY . 15.9 m -52.44 -37.67 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 72.41 111.136 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.26 -47.33 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 73.34 111.113 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -26.74 66.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.888 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -78.79 -58.35 3.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 65.54 110.949 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.669 HG12 HD23 ' A' ' 21' ' ' LEU . 60.6 t -51.89 -53.69 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.415 . . . . 54.42 111.109 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.26 -30.26 64.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 71.35 112.519 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.36 -42.53 44.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.751 0.31 . . . . 73.51 110.907 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 -60.42 2.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 51.32 111.051 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.669 HD23 HG12 ' A' ' 17' ' ' VAL . 3.1 pp -56.86 -29.39 62.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.883 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.02 -26.33 53.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 54.2 112.49 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -26.42 65.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.875 0.369 . . . . 55.02 110.885 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 45.86 75.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 72.25 110.899 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.97 -35.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.51 110.881 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.38 -45.43 93.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 75.31 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.09 -33.28 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 75.25 111.147 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -47.59 83.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 55.22 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.524 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.79 -44.63 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 64.52 110.885 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.18 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.094 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -72.39 -28.73 63.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 71.13 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -79.54 -40.82 28.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.866 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.5 mt -68.06 -26.0 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 71.41 111.089 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -55.44 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 54.33 110.893 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -58.52 -26.77 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 75.51 110.851 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -36.99 79.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 63.24 110.903 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -77.07 -44.15 31.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 35.42 110.895 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.78 -0.31 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 72.34 110.928 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.866 179.9 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.536 ' O ' HG23 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.489 -0.245 . . . . 54.53 112.489 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER -168.13 -38.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.78 0.324 . . . . 71.23 111.132 -179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -55.1 -56.33 21.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 73.31 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.23 101.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 52.43 110.911 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.43 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.886 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 2.0 mp -67.35 -12.84 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 50.13 111.112 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.2 -34.02 4.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 70.24 112.514 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -33.26 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 73.44 110.855 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.52 100.37 0.33 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.737 . . . . 70.52 112.478 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.3 tp -163.87 -36.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 61.45 111.165 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.07 31.3 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.754 . . . . 52.54 112.46 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.5 mtt-85 -145.54 24.26 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 74.5 110.881 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.402 HG22 ' CG2' ' A' ' 17' ' ' VAL . 10.0 p -57.39 -30.51 35.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 64.2 111.17 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.12 -57.17 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 51.3 111.129 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -69.58 -25.18 63.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 73.05 110.899 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -79.13 -58.82 3.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.492 . . . . 73.03 110.937 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG2' HG22 ' A' ' 13' ' ' VAL . 97.2 t -62.13 -33.97 61.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 72.33 111.115 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.1 -30.97 77.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 53.34 112.511 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -32.12 57.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.849 0.357 . . . . 65.23 110.926 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -59.64 2.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 61.2 111.108 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp -55.55 -26.01 40.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.921 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.02 -30.71 30.74 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.686 -0.769 . . . . 74.45 112.517 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.82 -170.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 74.22 110.889 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 tp -166.62 67.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 52.52 110.879 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.79 -36.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 60.42 110.845 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.56 -39.21 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 75.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.95 -32.42 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.2 111.148 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.25 -47.88 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 71.11 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.64 -45.52 71.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.93 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.65 -24.19 67.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 61.32 111.12 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -70.91 -30.14 66.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 70.34 110.855 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.7 tmm_? -78.66 -39.07 37.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 75.12 110.878 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.5 mt -69.39 -25.92 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 62.23 111.146 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -55.66 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 54.15 110.869 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -59.27 -26.22 64.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 72.51 110.868 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -32.41 71.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 53.53 110.951 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 tttt -75.78 -52.55 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.933 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 mttp -78.77 -0.34 29.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 51.11 110.913 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.834 179.907 . . . . . . . . 0 0 . 1 stop_ save_