data_6szf_residue ############################ # Computer software used # ############################ 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 6szf _Structure_validation_residue.Date_analyzed 2020-10-16 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 ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.822 0.344 . . . . 74.25 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.26 23.35 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.549999999999997 110.858 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -105.02 28.38 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 72.510000000000005 110.846 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.11 114.91 26.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 71.430000000000007 110.823 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -20.84 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 73.230000000000004 110.84 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.8 -34.05 1.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 65.340000000000003 112.521 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.32 -22.45 38.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 74.140000000000001 110.919 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.32 65.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 74.040000000000006 110.888 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.35 -157.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 73.450000000000003 111.105 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.84 -26.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 75.329999999999998 110.842 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.76 -34.13 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 75.209999999999994 110.835 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -111.8 97.08 6.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 74.450000000000003 110.937 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.7 4.41 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.927 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.37 -35.83 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 72.040000000000006 110.884 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.81 -11.85 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 74.230000000000004 111.128 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -81.73 52.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.530000000000001 110.902 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.83 -33.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 74.329999999999998 110.898 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.45 65.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 61.100000000000001 111.069 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.66 57.24 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.099999999999994 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -176.98 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 73.040000000000006 110.878 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.84 -26.12 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 71.219999999999999 111.14 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.72 -20.42 61.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 71.409999999999997 112.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 72.319999999999993 110.827 -179.701 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.835 0.35 . . . . 74.310000000000002 110.883 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.45 64.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 64.340000000000003 112.49 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.55 12.81 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.331 . . . . 53.210000000000001 111.1 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.51 35.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 111.155 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.32 -21.74 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.329999999999998 111.122 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.58 -13.56 25.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 73.150000000000006 112.503 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.97 -25.56 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 71.239999999999995 110.938 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttm -118.35 20.13 13.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.898 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -162.42 -39.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.510000000000005 111.124 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.85 92.48 0.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 70.299999999999997 112.523 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.34 25.76 25.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 70.120000000000005 112.462 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -134.74 -65.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 74.439999999999998 111.155 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 74.430000000000007 111.147 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.874 0.369 . . . . 72.439999999999998 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -93.83 18.91 9.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 75.239999999999995 110.891 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.11 26.93 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.299999999999997 110.844 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -89.65 112.97 24.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.7 p -71.61 -9.6 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 72.430000000000007 110.853 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.09 -24.18 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 43.420000000000002 112.433 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.11 -23.51 16.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 72.430000000000007 110.878 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.36 40.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.94 -158.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 72.030000000000001 111.152 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -26.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.439999999999998 110.802 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -44.16 -37.62 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.510000000000005 110.861 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -135.74 146.33 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.109999999999999 110.918 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt 176.97 -28.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 74.340000000000003 110.916 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.4 -25.41 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.25 110.895 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.94 -10.11 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 111.105 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -83.77 49.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.209999999999994 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.2 t80 179.94 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 74.319999999999993 110.87 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.26 -22.28 65.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 73.120000000000005 111.069 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -91.11 56.28 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 61.509999999999998 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -177.46 -36.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 62.409999999999997 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.12 -28.48 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 71.329999999999998 111.153 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.17 -24.5 51.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 74.530000000000001 112.452 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 52.549999999999997 110.856 -179.749 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.811 0.338 . . . . 72.129999999999995 110.921 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.74 -14.43 64.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 51.43 112.487 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.48 12.7 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 65.019999999999996 111.121 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.48 35.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.310000000000002 111.142 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.47 -21.8 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 73.530000000000001 111.107 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 -13.24 26.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 74.420000000000002 112.493 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.37 -25.53 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 70.409999999999997 110.923 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.29 20.12 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 73.040000000000006 110.89 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -162.33 -39.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 70.510000000000005 111.135 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.89 105.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 71.310000000000002 112.5 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.3 25.57 61.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 65.430000000000007 112.474 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -132.99 -69.4 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 75.120000000000005 111.139 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 61.420000000000002 111.134 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.833 0.349 . . . . 73.340000000000003 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.22 19.87 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.340000000000003 110.873 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.78 31.69 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 71.120000000000005 110.841 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.6 116.27 28.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 64.230000000000004 110.893 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -8.75 56.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 64.340000000000003 110.838 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.95 -30.67 0.92 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 73.430000000000007 112.485 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -90.0 -21.14 22.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 74.019999999999996 110.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -115.72 50.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 73.040000000000006 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -157.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 62.439999999999998 111.127 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.73 -24.77 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 110.837 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -44.11 -37.98 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.530000000000001 110.859 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.63 117.91 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.430000000000007 110.931 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -133.43 1.79 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.420000000000002 110.885 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.34 -15.07 8.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 110.94 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -84.05 2.99 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.420000000000002 111.158 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -90.55 17.45 7.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.510000000000005 110.871 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.31 19.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 73.219999999999999 110.875 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.04 -29.96 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 111.07 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.62 57.41 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 74.140000000000001 110.86 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -174.21 32.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.875 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.5 t -117.13 -26.25 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.400000000000006 111.138 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.3 -37.32 64.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 75.299999999999997 112.497 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 75.010000000000005 110.8 -179.687 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.827 0.346 . . . . 75.040000000000006 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.55 64.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 52.229999999999997 112.454 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.52 13.66 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 74.239999999999995 111.108 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -140.52 34.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 111.127 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 tp -70.35 -20.81 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 75.430000000000007 111.154 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.68 -17.93 12.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 64.239999999999995 112.548 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.3 -21.96 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 73.230000000000004 110.947 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttm -121.79 20.69 10.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.85 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.3 t -163.65 -50.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 72.319999999999993 111.157 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.48 78.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.739 -0.743 . . . . 71.150000000000006 112.513 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.1 64.06 3.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 74.310000000000002 112.457 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.8 t -146.35 -75.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 73.019999999999996 111.17 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.200000000000003 111.122 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.876 0.369 . . . . 74.109999999999999 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -21.22 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 73.400000000000006 110.833 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -70.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.878 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.407 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 6.8 t70 71.63 -70.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 65.109999999999999 110.842 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -72.94 78.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 70.049999999999997 110.902 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.42 -31.39 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 70.310000000000002 112.516 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -102.15 -22.17 14.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 74.530000000000001 110.933 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.6 tt0 -95.35 12.44 29.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 110.88 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.74 -154.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 111.133 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -25.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 110.875 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -42.3 -37.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.409999999999997 110.867 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -136.3 146.19 46.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.25 110.923 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt 176.94 -28.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 74.519999999999996 110.895 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -21.43 9.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.894 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -86.31 5.8 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.530000000000001 111.138 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -90.87 17.53 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 62.409999999999997 110.866 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -152.67 19.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.209999999999994 110.876 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.69 -29.78 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.200000000000003 111.091 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 57.96 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.129999999999995 110.869 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -176.45 -38.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.5 110.894 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -52.97 -29.3 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.219999999999999 111.111 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.15 -23.83 41.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 55.399999999999999 112.463 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 52.149999999999999 110.837 -179.695 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.845 0.355 . . . . 74.420000000000002 110.884 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.4 61.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 72.319999999999993 112.495 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.61 14.45 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.735 0.302 . . . . 72.310000000000002 111.112 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -141.24 36.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 111.099 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.29 -21.63 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 74.319999999999993 111.136 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 -13.57 25.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 72.409999999999997 112.508 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.87 -25.47 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 70.230000000000004 110.916 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.7 ttm -118.38 20.16 13.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.450000000000003 110.917 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -162.53 -39.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 74.120000000000005 111.145 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.21 101.49 0.23 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 53.32 112.465 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.12 22.04 55.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 74.230000000000004 112.518 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.3 t -132.03 -51.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 74.010000000000005 111.169 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.420000000000002 111.132 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.806 0.336 . . . . 74.040000000000006 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.89 22.38 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 73.209999999999994 110.868 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -103.27 28.23 6.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.040000000000006 110.812 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.9 113.36 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 72.439999999999998 110.868 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -70.67 -6.94 40.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.510000000000005 110.873 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.19 -20.49 4.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 75.310000000000002 112.513 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -100.07 -22.86 15.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 73.329999999999998 110.908 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -89.57 10.53 22.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.319999999999993 110.949 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.02 -154.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 75.439999999999998 111.149 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -23.71 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.010000000000005 110.858 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -41.14 -37.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 72.099999999999994 110.859 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -145.6 125.64 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.873 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -132.69 2.07 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 73.230000000000004 110.9 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.5 -27.51 5.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 75.319999999999993 110.963 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -56.71 -23.25 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 73.040000000000006 111.133 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -77.67 54.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.420000000000002 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 176.89 -32.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 70.299999999999997 110.845 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.08 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 65.310000000000002 111.078 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.62 56.88 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 110.922 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -177.73 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 71.519999999999996 110.885 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -52.33 -30.78 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 71.129999999999995 111.099 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -25.63 53.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 73.209999999999994 112.512 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 71.319999999999993 110.843 -179.764 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.875 0.369 . . . . 75.439999999999998 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.45 64.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 75.310000000000002 112.479 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.58 12.95 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 73.540000000000006 111.143 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.66 35.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.5 111.117 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.34 -21.8 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.239999999999995 111.161 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.54 -13.42 26.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 72.040000000000006 112.472 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.07 -25.59 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 74.349999999999994 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -118.29 20.1 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.894 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -162.43 -39.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.209999999999994 111.168 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.14 101.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 61.409999999999997 112.494 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.77 -23.06 32.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 71.420000000000002 112.502 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.2 t -85.3 -27.92 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 72.409999999999997 111.102 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 72.109999999999999 111.093 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.93 0.395 . . . . 75.310000000000002 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.19 23.1 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 74.530000000000001 110.862 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -105.01 28.66 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 74.450000000000003 110.811 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.01 114.92 26.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.899 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.26 -20.91 63.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 61.149999999999999 110.849 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.77 -34.06 1.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 62.210000000000001 112.49 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -22.51 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 72.019999999999996 110.932 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.33 65.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.519999999999996 110.887 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.45 -157.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.153 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.77 -26.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 62.130000000000003 110.836 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -43.83 -34.05 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.839 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -112.66 95.92 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 73.200000000000003 110.906 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -128.95 -0.82 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.902 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -119.32 -26.91 5.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 74.329999999999998 110.911 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.89 2.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 75.239999999999995 111.112 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -90.31 17.46 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 75.219999999999999 110.926 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.31 19.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 62.420000000000002 110.871 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.28 -30.73 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 71.400000000000006 111.089 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.46 58.14 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.319999999999993 110.9 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -176.57 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 75.430000000000007 110.863 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -76.83 -65.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.109999999999999 111.144 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.56 -24.57 39.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 62.149999999999999 112.478 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 73.299999999999997 110.853 -179.777 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.775 0.321 . . . . 75.340000000000003 110.908 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.72 33.18 34.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 63.350000000000001 112.465 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.78 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 71.450000000000003 111.113 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.42 38.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.140000000000001 111.152 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 tp -75.07 -22.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.239999999999995 111.122 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.04 -11.92 28.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 73.209999999999994 112.502 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -109.57 -24.28 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.797 0.332 . . . . 75.150000000000006 110.916 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttp -118.79 19.32 13.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 63.409999999999997 110.914 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -160.64 -39.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 111.164 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.14 -59.71 9.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 75.219999999999999 112.494 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.99 19.77 46.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 72.549999999999997 112.523 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.5 t -117.59 -59.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 73.120000000000005 111.12 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.230000000000004 111.13 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.854 0.359 . . . . 73.209999999999994 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -93.88 18.95 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 75.310000000000002 110.886 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.55 27.4 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.798 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -89.69 113.19 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 72.099999999999994 110.844 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 p -71.33 -9.77 58.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.150000000000006 110.832 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.91 -25.34 1.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 75.420000000000002 112.469 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.83 -22.89 17.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 72.019999999999996 110.892 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -112.46 42.6 1.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 75.519999999999996 110.878 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.55 -158.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.32 111.11 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.81 -26.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.540000000000006 110.846 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -44.34 -37.56 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 70.409999999999997 110.846 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -136.39 146.11 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 71.230000000000004 110.923 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 tttt 177.15 -28.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.906 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.86 -20.12 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 72.329999999999998 110.902 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.22 2.11 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.430000000000007 111.128 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -90.18 17.53 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 75.310000000000002 110.878 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -152.46 19.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 73.129999999999995 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.92 -30.37 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.010000000000005 111.114 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -80.23 58.32 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.420000000000002 110.883 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -173.46 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 63.119999999999997 110.875 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.8 t -55.52 -51.52 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 111.147 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.77 78.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 74.540000000000006 112.51 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 63.409999999999997 110.833 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.797 0.332 . . . . 74.420000000000002 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.84 32.98 27.19 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.714 -0.755 . . . . 72.200000000000003 112.549 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.54 -33.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 73.109999999999999 111.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.26 38.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 111.099 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 tp -75.17 -22.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.139 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.01 -11.58 29.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.799 -0.715 . . . . 75.150000000000006 112.473 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.13 -24.15 10.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.327 . . . . 74.239999999999995 110.927 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -118.98 19.51 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 110.855 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -160.64 -39.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 73.340000000000003 111.106 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.19 104.4 0.34 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 73.25 112.461 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.14 19.87 63.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 63.109999999999999 112.466 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.16 -70.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 72.340000000000003 111.114 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 73.329999999999998 111.089 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.821 0.343 . . . . 71.349999999999994 110.855 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -11.86 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 74.319999999999993 110.828 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -136.07 91.81 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.040000000000006 110.868 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.64 116.48 23.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 74.310000000000002 110.847 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -8.66 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.010000000000005 110.805 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.88 -30.22 0.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.747 . . . . 75.540000000000006 112.468 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.37 -21.56 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.382 . . . . 75.349999999999994 110.892 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.45 50.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 74.209999999999994 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.3 -157.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 74.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -24.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.310000000000002 110.882 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -44.54 -37.39 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 72.099999999999994 110.845 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.34 118.38 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 65.010000000000005 110.902 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -134.12 3.43 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.129999999999995 110.899 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.4 mt -123.34 -8.32 8.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 72.450000000000003 110.906 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.39 5.89 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 70.219999999999999 111.091 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.55 16.29 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 74.230000000000004 110.896 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -150.53 18.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 73.430000000000007 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.68 -29.65 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 73.329999999999998 111.133 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -84.51 57.2 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.420000000000002 110.893 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -177.67 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 74.430000000000007 110.858 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.7 t -52.0 -30.01 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 71.310000000000002 111.134 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.5 -30.98 43.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 74.420000000000002 112.51 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 72.219999999999999 110.873 -179.729 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.78 0.324 . . . . 74.140000000000001 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.06 -16.31 60.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 73.200000000000003 112.471 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.69 10.3 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 74.420000000000002 111.095 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.86 43.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 75.519999999999996 111.136 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -20.26 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.530000000000001 111.095 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.4 -8.49 43.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 74.150000000000006 112.534 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.05 -24.91 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 75.200000000000003 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttm -120.94 22.35 11.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.209999999999994 110.907 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -160.42 -38.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.120000000000005 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.59 -59.2 10.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 74.349999999999994 112.487 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.07 19.62 48.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 73.439999999999998 112.522 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -120.55 -69.15 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 73.299999999999997 111.155 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 111.161 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.857 0.361 . . . . 71.409999999999997 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.25 23.05 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 75.409999999999997 110.834 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.8 34.14 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.43 113.18 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.911 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.25 -10.84 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.140000000000001 110.893 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.27 -34.13 0.51 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 33.299999999999997 112.482 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 14.42 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.886 0.374 . . . . 65.420000000000002 110.982 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -148.53 31.67 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 73.420000000000002 110.885 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.3 -157.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 63.130000000000003 111.162 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -26.49 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 64.120000000000005 110.867 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.06 -38.14 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.866 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.64 118.79 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 75.209999999999994 110.887 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -134.48 3.83 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.948 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.67 -6.81 8.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.430000000000007 110.884 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 p -85.44 5.69 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 73.010000000000005 111.127 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -90.93 17.65 7.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 63.100000000000001 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -152.62 19.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 110.894 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.23 -28.56 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.120000000000005 111.093 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -82.19 57.85 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.906 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -174.38 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 74.239999999999995 110.848 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.62 -30.05 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 64.5 111.165 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -20.63 44.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 61.130000000000003 112.506 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 72.239999999999995 110.884 -179.782 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.78 0.324 . . . . 73.5 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.85 32.88 27.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.745 . . . . 64.040000000000006 112.484 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.59 -33.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 72.420000000000002 111.117 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.21 37.01 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 70.140000000000001 111.161 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -74.72 -23.12 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 73.439999999999998 111.177 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.02 -11.43 29.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 73.239999999999995 112.493 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 tp -109.73 -24.33 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 75.420000000000002 110.916 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttp -118.69 18.45 13.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 71.120000000000005 110.885 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -160.2 -39.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 65.510000000000005 111.123 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.08 -59.68 9.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 72.329999999999998 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.24 20.3 44.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 72.420000000000002 112.492 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.9 t -119.94 -65.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 75.310000000000002 111.159 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.129999999999995 111.118 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.866 0.365 . . . . 75.219999999999999 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 23.07 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 75.200000000000003 110.854 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -106.48 30.01 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 73.430000000000007 110.888 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.81 115.65 27.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 74.409999999999997 110.884 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.1 -7.67 52.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 72.120000000000005 110.874 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.28 -29.35 0.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 64.540000000000006 112.523 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -93.12 -18.5 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 75.439999999999998 110.943 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -117.67 44.99 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 74.420000000000002 110.906 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.35 -157.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 74.329999999999998 111.154 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.75 -26.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 74.439999999999998 110.896 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -44.33 -37.71 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 110.852 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -132.98 146.36 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 110.926 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.9 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.931 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.43 -25.2 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.030000000000001 110.907 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.8 -10.14 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 64.420000000000002 111.136 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -83.65 49.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.439999999999998 110.912 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -179.99 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.853 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -22.78 65.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 70.129999999999995 111.121 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -90.85 55.64 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.420000000000002 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -174.21 32.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 71.299999999999997 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.11 -32.64 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 74.349999999999994 111.145 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.69 18.65 52.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 74.109999999999999 112.507 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 71.420000000000002 110.88 -179.771 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.817 0.341 . . . . 74.140000000000001 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.75 33.34 27.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 70.129999999999995 112.468 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.07 -33.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 63.43 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.29 38.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 65.319999999999993 111.111 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 tp -76.48 -21.88 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 111.095 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.06 -10.97 30.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 72.310000000000002 112.513 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.76 -24.12 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 74.049999999999997 110.907 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.6 ttm -118.68 20.66 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 73.219999999999999 110.922 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -160.96 -39.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 111.116 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.52 107.03 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 72.340000000000003 112.482 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.41 24.2 61.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 71.209999999999994 112.49 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.3 t -127.75 -55.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.372 . . . . 75.450000000000003 111.135 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.129999999999995 111.119 179.901 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.862 0.363 . . . . 72.030000000000001 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.76 -40.26 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 72.510000000000005 111.125 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.85 -51.55 69.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 75.340000000000003 110.871 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -33.16 63.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.927 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.26 23.35 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.549999999999997 110.858 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -105.02 28.38 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 72.510000000000005 110.846 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.11 114.91 26.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 71.430000000000007 110.823 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -20.84 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 73.230000000000004 110.84 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.8 -34.05 1.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 65.340000000000003 112.521 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.32 -22.45 38.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 74.140000000000001 110.919 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.32 65.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 74.040000000000006 110.888 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.35 -157.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 73.450000000000003 111.105 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.84 -26.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 75.329999999999998 110.842 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.76 -34.13 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 75.209999999999994 110.835 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -111.8 97.08 6.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 74.450000000000003 110.937 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.7 4.41 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.927 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.37 -35.83 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 72.040000000000006 110.884 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.81 -11.85 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 74.230000000000004 111.128 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -81.73 52.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.530000000000001 110.902 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.83 -33.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 74.329999999999998 110.898 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.45 65.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 61.100000000000001 111.069 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.66 57.24 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.099999999999994 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -176.98 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 73.040000000000006 110.878 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.84 -26.12 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 71.219999999999999 111.14 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.72 -20.42 61.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 71.409999999999997 112.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -89.29 52.96 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 72.319999999999993 110.827 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -53.93 -43.92 70.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.319999999999993 110.873 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.23 127.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 74.310000000000002 110.883 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.45 64.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 64.340000000000003 112.49 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.55 12.81 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.331 . . . . 53.210000000000001 111.1 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.51 35.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 74.319999999999993 111.155 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.32 -21.74 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.329999999999998 111.122 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.58 -13.56 25.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 73.150000000000006 112.503 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.97 -25.56 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 71.239999999999995 110.938 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttm -118.35 20.13 13.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.898 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -162.42 -39.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 73.510000000000005 111.124 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.85 92.48 0.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 70.299999999999997 112.523 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.34 25.76 25.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 70.120000000000005 112.462 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -134.74 -65.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 74.439999999999998 111.155 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.7 t -84.36 140.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 74.430000000000007 111.147 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.91 -59.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 111.158 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 63.409999999999997 111.111 179.791 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.81 0.338 . . . . 73.209999999999994 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.23 24.27 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 72.239999999999995 111.11 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -84.38 -54.83 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.540000000000006 110.818 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -56.6 -31.23 64.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 72.439999999999998 110.916 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -93.83 18.91 9.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 75.239999999999995 110.891 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.11 26.93 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.299999999999997 110.844 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -89.65 112.97 24.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.7 p -71.61 -9.6 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 72.430000000000007 110.853 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.09 -24.18 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 43.420000000000002 112.433 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.11 -23.51 16.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 72.430000000000007 110.878 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.36 40.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.099999999999994 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.94 -158.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 72.030000000000001 111.152 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -26.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.439999999999998 110.802 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -44.16 -37.62 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.510000000000005 110.861 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -135.74 146.33 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.109999999999999 110.918 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt 176.97 -28.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 74.340000000000003 110.916 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.4 -25.41 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.25 110.895 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.94 -10.11 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 111.105 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -83.77 49.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.209999999999994 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.2 t80 179.94 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 74.319999999999993 110.87 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.26 -22.28 65.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 73.120000000000005 111.069 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -91.11 56.28 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 61.509999999999998 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -177.46 -36.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 62.409999999999997 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.12 -28.48 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 71.329999999999998 111.153 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.17 -24.5 51.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 74.530000000000001 112.452 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -85.35 54.52 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 52.549999999999997 110.856 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -52.1 -44.1 64.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.859 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.22 127.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 72.129999999999995 110.921 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.74 -14.43 64.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 51.43 112.487 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.48 12.7 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 65.019999999999996 111.121 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.48 35.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 75.310000000000002 111.142 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.47 -21.8 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 73.530000000000001 111.107 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 -13.24 26.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 74.420000000000002 112.493 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.37 -25.53 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 70.409999999999997 110.923 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -118.29 20.12 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 73.040000000000006 110.89 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -162.33 -39.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 70.510000000000005 111.135 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.89 105.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 71.310000000000002 112.5 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.3 25.57 61.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 65.430000000000007 112.474 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -132.99 -69.4 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 75.120000000000005 111.139 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 48.7 t -119.92 94.1 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 61.420000000000002 111.134 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.6 mp -84.07 -68.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 64.230000000000004 111.19 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 74.319999999999993 111.06 179.785 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.795 0.331 . . . . 71.549999999999997 110.833 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.15 -28.82 6.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.129999999999995 111.097 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.33 -55.51 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.239999999999995 110.892 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -29.32 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 110.929 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.22 19.87 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.340000000000003 110.873 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.78 31.69 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 71.120000000000005 110.841 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.6 116.27 28.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 64.230000000000004 110.893 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -8.75 56.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 64.340000000000003 110.838 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.95 -30.67 0.92 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 73.430000000000007 112.485 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -90.0 -21.14 22.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 74.019999999999996 110.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -115.72 50.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 73.040000000000006 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -157.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 62.439999999999998 111.127 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.73 -24.77 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.540000000000006 110.837 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -44.11 -37.98 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.530000000000001 110.859 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.63 117.91 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.430000000000007 110.931 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -133.43 1.79 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.420000000000002 110.885 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.34 -15.07 8.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 110.94 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -84.05 2.99 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.420000000000002 111.158 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -90.55 17.45 7.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.510000000000005 110.871 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.31 19.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 73.219999999999999 110.875 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.04 -29.96 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 111.07 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.62 57.41 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 74.140000000000001 110.86 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -174.21 32.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.875 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.5 t -117.13 -26.25 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.400000000000006 111.138 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.3 -37.32 64.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 75.299999999999997 112.497 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m -92.71 50.95 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 75.010000000000005 110.8 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -63.63 -45.28 90.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 70.129999999999995 110.828 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.25 128.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.040000000000006 110.887 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.55 64.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 52.229999999999997 112.454 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.52 13.66 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 74.239999999999995 111.108 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -140.52 34.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 111.127 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 tp -70.35 -20.81 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 75.430000000000007 111.154 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.68 -17.93 12.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 64.239999999999995 112.548 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.3 -21.96 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 73.230000000000004 110.947 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttm -121.79 20.69 10.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.85 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.3 t -163.65 -50.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 72.319999999999993 111.157 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 46.48 78.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.739 -0.743 . . . . 71.150000000000006 112.513 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.1 64.06 3.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 74.310000000000002 112.457 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.8 t -146.35 -75.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 73.019999999999996 111.17 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.9 t -102.53 88.88 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.200000000000003 111.122 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.3 mm -82.0 85.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 75.540000000000006 111.168 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.010000000000005 111.099 179.803 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.803 0.335 . . . . 64.239999999999995 110.858 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.36 29.9 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 75.230000000000004 111.117 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -89.02 -54.31 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 75.099999999999994 110.937 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.56 -48.49 69.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.87 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -21.22 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 73.400000000000006 110.833 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -70.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.878 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.407 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 6.8 t70 71.63 -70.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 65.109999999999999 110.842 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -72.94 78.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 70.049999999999997 110.902 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.42 -31.39 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 70.310000000000002 112.516 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -102.15 -22.17 14.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 74.530000000000001 110.933 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.6 tt0 -95.35 12.44 29.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 110.88 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.74 -154.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 111.133 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -25.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.430000000000007 110.875 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -42.3 -37.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.409999999999997 110.867 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -136.3 146.19 46.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 74.25 110.923 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt 176.94 -28.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 74.519999999999996 110.895 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -21.43 9.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.894 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -86.31 5.8 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.530000000000001 111.138 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -90.87 17.53 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 62.409999999999997 110.866 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -152.67 19.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.209999999999994 110.876 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.69 -29.78 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.200000000000003 111.091 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 57.96 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.129999999999995 110.869 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -176.45 -38.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.5 110.894 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -52.97 -29.3 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.219999999999999 111.111 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.15 -23.83 41.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 55.399999999999999 112.463 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 m -89.87 53.93 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 52.149999999999999 110.837 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -54.24 -68.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.319999999999993 110.883 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.22 127.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.884 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.4 61.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 72.319999999999993 112.495 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.61 14.45 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.735 0.302 . . . . 72.310000000000002 111.112 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -141.24 36.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 111.099 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.29 -21.63 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 74.319999999999993 111.136 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 -13.57 25.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 72.409999999999997 112.508 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.87 -25.47 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 70.230000000000004 110.916 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.7 ttm -118.38 20.16 13.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.450000000000003 110.917 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -162.53 -39.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 74.120000000000005 111.145 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.21 101.49 0.23 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 53.32 112.465 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.12 22.04 55.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 74.230000000000004 112.518 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.3 t -132.03 -51.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 74.010000000000005 111.169 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.89 128.63 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.420000000000002 111.132 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.59 -51.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.519999999999996 111.173 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 61.409999999999997 111.129 179.809 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t70 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.81 0.338 . . . . 72.239999999999995 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.56 -30.99 24.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 54.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.89 -52.46 49.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 74.519999999999996 110.919 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -55.51 -33.55 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 74.040000000000006 110.849 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.89 22.38 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 73.209999999999994 110.868 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -103.27 28.23 6.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.040000000000006 110.812 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.9 113.36 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 72.439999999999998 110.868 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -70.67 -6.94 40.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 74.510000000000005 110.873 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.19 -20.49 4.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 75.310000000000002 112.513 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -100.07 -22.86 15.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 73.329999999999998 110.908 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -89.57 10.53 22.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.319999999999993 110.949 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.02 -154.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 75.439999999999998 111.149 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -23.71 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.010000000000005 110.858 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -41.14 -37.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 72.099999999999994 110.859 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -145.6 125.64 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 110.873 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -132.69 2.07 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 73.230000000000004 110.9 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.5 -27.51 5.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 75.319999999999993 110.963 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 p -56.71 -23.25 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 73.040000000000006 111.133 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -77.67 54.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.420000000000002 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 176.89 -32.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 70.299999999999997 110.845 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.08 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 65.310000000000002 111.078 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.62 56.88 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 110.922 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -177.73 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 71.519999999999996 110.885 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -52.33 -30.78 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 71.129999999999995 111.099 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -25.63 53.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 73.209999999999994 112.512 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -88.89 59.22 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 71.319999999999993 110.843 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -54.4 -44.21 72.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 110.883 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? 67.21 127.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 75.439999999999998 110.832 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.45 64.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 75.310000000000002 112.479 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.58 12.95 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 73.540000000000006 111.143 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.66 35.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.5 111.117 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.34 -21.8 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.239999999999995 111.161 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.54 -13.42 26.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 72.040000000000006 112.472 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.07 -25.59 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 74.349999999999994 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -118.29 20.1 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.894 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 t -162.43 -39.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.209999999999994 111.168 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.14 101.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 61.409999999999997 112.494 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.77 -23.06 32.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 71.420000000000002 112.502 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.2 t -85.3 -27.92 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 72.409999999999997 111.102 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -81.4 150.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 72.109999999999999 111.093 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -140.08 113.91 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 73.239999999999995 111.099 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 71.299999999999997 111.112 179.803 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.817 0.341 . . . . 71.299999999999997 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.26 -37.46 52.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.239999999999995 111.141 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.34 -51.76 66.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 75.109999999999999 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -55.55 -32.66 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 75.310000000000002 110.901 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.19 23.1 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 74.530000000000001 110.862 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -105.01 28.66 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 74.450000000000003 110.811 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.01 114.92 26.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.899 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.26 -20.91 63.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 61.149999999999999 110.849 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.77 -34.06 1.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 62.210000000000001 112.49 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -22.51 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 72.019999999999996 110.932 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.33 65.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 73.519999999999996 110.887 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.45 -157.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 111.153 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.77 -26.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 62.130000000000003 110.836 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -43.83 -34.05 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.839 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -112.66 95.92 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 73.200000000000003 110.906 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -128.95 -0.82 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.219999999999999 110.902 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -119.32 -26.91 5.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 74.329999999999998 110.911 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.89 2.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 75.239999999999995 111.112 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -90.31 17.46 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 75.219999999999999 110.926 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.31 19.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 62.420000000000002 110.871 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.28 -30.73 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 71.400000000000006 111.089 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.46 58.14 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.319999999999993 110.9 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -176.57 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 75.430000000000007 110.863 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -76.83 -65.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.109999999999999 111.144 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.56 -24.57 39.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 62.149999999999999 112.478 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -115.65 77.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 73.299999999999997 110.853 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.22 36.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 75.319999999999993 110.89 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.22 -158.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 75.340000000000003 110.908 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.72 33.18 34.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 63.350000000000001 112.465 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.78 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 71.450000000000003 111.113 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.42 38.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.140000000000001 111.152 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.1 tp -75.07 -22.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.239999999999995 111.122 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.04 -11.92 28.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 73.209999999999994 112.502 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -109.57 -24.28 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.797 0.332 . . . . 75.150000000000006 110.916 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttp -118.79 19.32 13.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 63.409999999999997 110.914 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -160.64 -39.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 111.164 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.14 -59.71 9.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 75.219999999999999 112.494 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.99 19.77 46.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 72.549999999999997 112.523 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.5 t -117.59 -59.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 73.120000000000005 111.12 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.1 p -125.16 145.13 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.230000000000004 111.13 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.39 116.06 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 73.140000000000001 111.134 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 72.510000000000005 111.1 179.8 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.7 t0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.809 0.338 . . . . 75.099999999999994 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.68 24.38 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 111.082 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -82.1 -54.58 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.862 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -56.77 -30.63 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 73.209999999999994 110.858 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -93.88 18.95 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 75.310000000000002 110.886 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.55 27.4 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.798 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -89.69 113.19 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 72.099999999999994 110.844 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 p -71.33 -9.77 58.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.150000000000006 110.832 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.91 -25.34 1.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 75.420000000000002 112.469 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.83 -22.89 17.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 72.019999999999996 110.892 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -112.46 42.6 1.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 75.519999999999996 110.878 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.55 -158.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 63.32 111.11 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.81 -26.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.540000000000006 110.846 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -44.34 -37.56 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 70.409999999999997 110.846 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -136.39 146.11 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 71.230000000000004 110.923 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 tttt 177.15 -28.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.906 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.86 -20.12 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 72.329999999999998 110.902 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.22 2.11 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.430000000000007 111.128 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -90.18 17.53 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 75.310000000000002 110.878 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -152.46 19.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 73.129999999999995 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.92 -30.37 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 71.010000000000005 111.114 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -80.23 58.32 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.420000000000002 110.883 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -173.46 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 63.119999999999997 110.875 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.8 t -55.52 -51.52 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 72.230000000000004 111.147 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.77 78.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 74.540000000000006 112.51 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.55 103.82 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 63.409999999999997 110.833 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -94.53 39.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 75.510000000000005 110.878 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -124.99 -155.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.919 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.84 32.98 27.19 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.714 -0.755 . . . . 72.200000000000003 112.549 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.54 -33.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 73.109999999999999 111.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.26 38.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 111.099 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 tp -75.17 -22.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.139 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.01 -11.58 29.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.799 -0.715 . . . . 75.150000000000006 112.473 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.13 -24.15 10.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.327 . . . . 74.239999999999995 110.927 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -118.98 19.51 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.129999999999995 110.855 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -160.64 -39.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 73.340000000000003 111.106 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.19 104.4 0.34 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 73.25 112.461 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.14 19.87 63.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 63.109999999999999 112.466 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.16 -70.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 72.340000000000003 111.114 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.6 p -106.54 23.64 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 73.329999999999998 111.089 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 pt -147.62 -171.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 111.072 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 55.140000000000001 111.118 179.818 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.783 0.325 . . . . 74.099999999999994 110.834 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.39 -39.56 79.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 65.030000000000001 111.069 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -55.63 -42.25 74.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.319999999999993 110.869 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -50.72 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.349999999999994 110.855 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -11.86 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 74.319999999999993 110.828 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -136.07 91.81 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.040000000000006 110.868 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.64 116.48 23.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 74.310000000000002 110.847 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -8.66 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.010000000000005 110.805 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.88 -30.22 0.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.747 . . . . 75.540000000000006 112.468 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.37 -21.56 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.382 . . . . 75.349999999999994 110.892 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.45 50.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 74.209999999999994 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.3 -157.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 74.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -24.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.310000000000002 110.882 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -44.54 -37.39 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 72.099999999999994 110.845 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.34 118.38 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 65.010000000000005 110.902 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -134.12 3.43 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.129999999999995 110.899 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.4 mt -123.34 -8.32 8.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 72.450000000000003 110.906 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.0 p -86.39 5.89 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 70.219999999999999 111.091 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.55 16.29 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 74.230000000000004 110.896 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -150.53 18.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 73.430000000000007 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.68 -29.65 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 73.329999999999998 111.133 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -84.51 57.2 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.420000000000002 110.893 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -177.67 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 74.430000000000007 110.858 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.7 t -52.0 -30.01 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 71.310000000000002 111.134 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.5 -30.98 43.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 74.420000000000002 112.51 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.2 p -115.68 85.85 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 72.219999999999999 110.873 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -52.26 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 74.519999999999996 110.885 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.3 129.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 74.140000000000001 110.9 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.06 -16.31 60.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 73.200000000000003 112.471 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.69 10.3 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 74.420000000000002 111.095 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.86 43.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 75.519999999999996 111.136 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -20.26 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.530000000000001 111.095 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.4 -8.49 43.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 74.150000000000006 112.534 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.05 -24.91 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 75.200000000000003 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.1 ttm -120.94 22.35 11.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.209999999999994 110.907 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -160.42 -38.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.120000000000005 111.126 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.59 -59.2 10.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 74.349999999999994 112.487 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.07 19.62 48.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 73.439999999999998 112.522 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -120.55 -69.15 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 73.299999999999997 111.155 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -92.6 129.94 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.200000000000003 111.161 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.9 mm -120.59 95.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 72.109999999999999 111.167 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.340000000000003 111.074 179.827 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.847 0.356 . . . . 63.140000000000001 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.27 24.45 5.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.540000000000006 111.068 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -58.63 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 75.109999999999999 110.899 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -56.46 -27.2 56.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 71.409999999999997 110.892 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.25 23.05 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 75.409999999999997 110.834 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.8 34.14 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.43 113.18 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.911 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.25 -10.84 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.140000000000001 110.893 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.27 -34.13 0.51 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 33.299999999999997 112.482 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 14.42 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.886 0.374 . . . . 65.420000000000002 110.982 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -148.53 31.67 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 73.420000000000002 110.885 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.3 -157.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 63.130000000000003 111.162 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -26.49 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 64.120000000000005 110.867 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.06 -38.14 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.866 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.64 118.79 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 75.209999999999994 110.887 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -134.48 3.83 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.948 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.67 -6.81 8.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.430000000000007 110.884 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 p -85.44 5.69 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 73.010000000000005 111.127 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -90.93 17.65 7.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 63.100000000000001 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -152.62 19.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 110.894 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.23 -28.56 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.120000000000005 111.093 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -82.19 57.85 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 73.329999999999998 110.906 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -174.38 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 74.239999999999995 110.848 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.62 -30.05 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 64.5 111.165 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -20.63 44.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 61.130000000000003 112.506 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -113.42 78.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 72.239999999999995 110.884 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -94.26 40.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 72.230000000000004 110.889 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -124.76 -155.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.5 110.948 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.85 32.88 27.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.745 . . . . 64.040000000000006 112.484 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.59 -33.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 72.420000000000002 111.117 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.21 37.01 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 70.140000000000001 111.161 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -74.72 -23.12 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 73.439999999999998 111.177 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.02 -11.43 29.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 73.239999999999995 112.493 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.1 tp -109.73 -24.33 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 75.420000000000002 110.916 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttp -118.69 18.45 13.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 71.120000000000005 110.885 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -160.2 -39.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 65.510000000000005 111.123 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.08 -59.68 9.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 72.329999999999998 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.24 20.3 44.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 72.420000000000002 112.492 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.9 t -119.94 -65.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 75.310000000000002 111.159 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 p -127.19 123.93 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.129999999999995 111.118 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.17 44.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 65.549999999999997 111.18 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 61.039999999999999 111.056 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.84 0.353 . . . . 73.230000000000004 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.14 -40.07 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 70.040000000000006 111.06 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -51.73 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 71.010000000000005 110.862 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -55.69 -32.11 62.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 23.07 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 75.200000000000003 110.854 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -106.48 30.01 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 73.430000000000007 110.888 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.81 115.65 27.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 74.409999999999997 110.884 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.1 -7.67 52.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 72.120000000000005 110.874 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.28 -29.35 0.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 64.540000000000006 112.523 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -93.12 -18.5 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 75.439999999999998 110.943 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -117.67 44.99 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 74.420000000000002 110.906 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.35 -157.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 74.329999999999998 111.154 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.75 -26.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 74.439999999999998 110.896 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -44.33 -37.71 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 110.852 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -132.98 146.36 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 72.329999999999998 110.926 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.9 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.931 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.43 -25.2 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 73.030000000000001 110.907 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.8 -10.14 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 64.420000000000002 111.136 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -83.65 49.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.439999999999998 110.912 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -179.99 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.853 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -22.78 65.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 70.129999999999995 111.121 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -90.85 55.64 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.420000000000002 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -174.21 32.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 71.299999999999997 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.11 -32.64 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 74.349999999999994 111.145 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.69 18.65 52.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 74.109999999999999 112.507 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -56.85 -25.29 56.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 71.420000000000002 110.88 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 58.8 68.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 62.340000000000003 110.884 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.06 -159.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.140000000000001 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.75 33.34 27.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 70.129999999999995 112.468 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.07 -33.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 63.43 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.29 38.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 65.319999999999993 111.111 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 tp -76.48 -21.88 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 111.095 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.06 -10.97 30.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 72.310000000000002 112.513 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -111.76 -24.12 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 74.049999999999997 110.907 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.6 ttm -118.68 20.66 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 73.219999999999999 110.922 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -160.96 -39.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 74.319999999999993 111.116 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.52 107.03 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 72.340000000000003 112.482 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.41 24.2 61.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 71.209999999999994 112.49 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.3 t -127.75 -55.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.372 . . . . 75.450000000000003 111.135 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.37 -38.05 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.129999999999995 111.119 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mp 70.88 -70.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 111.117 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 74.409999999999997 111.076 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.822 0.344 . . . . 74.25 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.26 23.35 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 65.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -105.02 28.38 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 72.51 110.846 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.11 114.91 26.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 71.43 110.823 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -20.84 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 64.21 110.84 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.8 -34.05 1.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 65.34 112.521 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.32 -22.45 38.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 72.24 110.919 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.32 65.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.888 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.35 -157.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.105 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.84 -26.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 64.13 110.842 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.76 -34.13 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.835 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -111.8 97.08 6.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.937 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.7 4.41 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.927 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.37 -35.83 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 60.11 110.884 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.81 -11.85 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 74.23 111.128 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -81.73 52.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.902 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.83 -33.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 74.33 110.898 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.45 65.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 51.11 111.069 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.66 57.24 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -176.98 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.43 110.878 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.84 -26.12 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.14 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.72 -20.42 61.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 71.41 112.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 72.32 110.827 -179.701 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.835 0.35 . . . . 74.31 110.883 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.45 64.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 22.13 112.49 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.55 12.81 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.331 . . . . 51.53 111.1 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.51 35.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 74.32 111.155 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.32 -21.74 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 54.14 111.122 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.58 -13.56 25.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 52.11 112.503 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.97 -25.56 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 71.14 110.938 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.553 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.4 ttm -118.35 20.13 13.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.898 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.42 -39.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.34 111.124 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.85 92.48 0.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 55.13 112.523 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.34 25.76 25.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 34.42 112.462 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -134.74 -65.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 74.1 111.155 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 74.43 111.147 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.874 0.369 . . . . 72.44 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -93.83 18.91 9.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.891 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.11 26.93 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.844 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -89.65 112.97 24.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.7 p -71.61 -9.6 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.853 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.09 -24.18 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 43.42 112.433 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.11 -23.51 16.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 72.43 110.878 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.36 40.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.1 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.94 -158.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 72.03 111.152 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -26.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.44 110.802 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -44.16 -37.62 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.51 110.861 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.74 146.33 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.11 110.918 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt 176.97 -28.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.916 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.4 -25.41 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 70.2 110.895 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.94 -10.11 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.105 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -83.77 49.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 24' ' ' VAL . 27.2 t80 179.94 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 50.25 110.87 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.26 -22.28 65.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 65.25 111.069 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -91.11 56.28 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 61.51 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -177.46 -36.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 62.41 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 20' ' ' PHE . 58.4 t -54.12 -28.48 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 71.33 111.153 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.17 -24.5 51.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 74.31 112.452 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 42.0 110.856 -179.749 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.811 0.338 . . . . 70.14 110.921 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.74 -14.43 64.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 51.43 112.487 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.48 12.7 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 51.33 111.121 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.48 35.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 53.4 111.142 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.47 -21.8 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 53.1 111.107 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 -13.24 26.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 74.42 112.493 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.37 -25.53 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 70.34 110.923 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -118.29 20.12 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.89 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.33 -39.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 70.51 111.135 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.89 105.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 70.43 112.5 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.3 25.57 61.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 62.32 112.474 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.616 HG12 HG23 ' A' ' 40' ' ' VAL . 59.0 t -132.99 -69.4 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 75.12 111.139 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.616 HG23 HG12 ' A' ' 39' ' ' VAL . 48.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 61.42 111.134 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.833 0.349 . . . . 73.34 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.22 19.87 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.873 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.78 31.69 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.841 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.6 116.27 28.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 62.12 110.893 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -8.75 56.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 62.32 110.838 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.95 -30.67 0.92 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 73.43 112.485 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -90.0 -21.14 22.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 74.02 110.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -115.72 50.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 73.04 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -157.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 52.44 111.127 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.73 -24.77 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.837 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -44.11 -37.98 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.53 110.859 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.57 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -154.63 117.91 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.42 110.931 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' C ' HD22 ' A' ' 17' ' ' LEU . 75.1 tttt -133.43 1.79 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.885 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 16' ' ' LYS . 4.4 mm? -121.34 -15.07 8.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 62.35 110.94 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 15' ' ' GLN . 4.7 p -84.05 2.99 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.12 111.158 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -90.55 17.45 7.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.51 110.871 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.31 19.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 71.04 110.875 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.04 -29.96 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.07 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.62 57.41 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.86 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -174.21 32.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.875 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.5 t -117.13 -26.25 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.01 111.138 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -55.3 -37.32 64.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 75.3 112.497 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 75.01 110.8 -179.687 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.827 0.346 . . . . 61.21 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.55 64.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 42.35 112.454 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.52 13.66 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 74.24 111.108 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -140.52 34.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 70.33 111.127 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.44 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.6 tp -70.35 -20.81 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 45.02 111.154 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.68 -17.93 12.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 64.24 112.548 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.3 -21.96 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 62.45 110.947 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.557 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.5 ttm -121.79 20.69 10.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.85 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 35' ' ' MET . 1.3 t -163.65 -50.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 72.32 111.157 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 36' ' ' VAL . . . 46.48 78.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.739 -0.743 . . . . 62.34 112.513 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.1 64.06 3.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 74.24 112.457 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.751 HG12 HG23 ' A' ' 40' ' ' VAL . 48.8 t -146.35 -75.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 52.4 111.17 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG23 HG12 ' A' ' 39' ' ' VAL . 94.9 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 65.41 111.122 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.876 0.369 . . . . 74.11 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -21.22 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 73.4 110.833 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -70.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.878 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.439 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 6.8 t70 71.63 -70.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.842 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -72.94 78.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 45.52 110.902 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.42 -31.39 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 70.31 112.516 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -102.15 -22.17 14.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 74.53 110.933 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.6 tt0 -95.35 12.44 29.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.88 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.74 -154.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 61.54 111.133 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -25.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.875 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -42.3 -37.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 61.23 110.867 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.3 146.19 46.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 61.22 110.923 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt 176.94 -28.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 65.21 110.895 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -21.43 9.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.894 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 18' ' ' VAL . 9.6 p -86.31 5.8 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.53 111.138 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -90.87 17.53 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 60.11 110.866 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -152.67 19.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 65.01 110.876 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.69 -29.78 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.2 111.091 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 57.96 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.869 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -176.45 -38.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.5 110.894 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -52.97 -29.3 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.22 111.111 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.15 -23.83 41.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 55.4 112.463 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 52.15 110.837 -179.695 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.845 0.355 . . . . 53.13 110.884 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.4 61.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 72.32 112.495 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.61 14.45 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.735 0.302 . . . . 72.31 111.112 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -141.24 36.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.099 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.29 -21.63 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 74.32 111.136 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 -13.57 25.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 61.44 112.508 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.87 -25.47 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 70.23 110.916 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.555 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.7 ttm -118.38 20.16 13.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.917 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.53 -39.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.04 111.145 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.21 101.49 0.23 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 53.32 112.465 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.12 22.04 55.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 64.41 112.518 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.3 t -132.03 -51.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 74.01 111.169 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.0 111.132 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.806 0.336 . . . . 74.04 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.89 22.38 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.868 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -103.27 28.23 6.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.04 110.812 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.9 113.36 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 63.3 110.868 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -70.67 -6.94 40.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.2 110.873 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.19 -20.49 4.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 75.31 112.513 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -100.07 -22.86 15.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 64.21 110.908 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -89.57 10.53 22.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 64.03 110.949 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.02 -154.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.149 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -23.71 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.01 110.858 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -41.14 -37.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 72.1 110.859 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -145.6 125.64 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.873 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -132.69 2.07 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 72.51 110.9 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.5 -27.51 5.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.963 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 15' ' ' GLN . 5.7 p -56.71 -23.25 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 73.04 111.133 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -77.67 54.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.2 OUTLIER 176.89 -32.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 54.02 110.845 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.08 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 65.31 111.078 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.62 56.88 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.922 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -177.73 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 71.52 110.885 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 20' ' ' PHE . 61.0 t -52.33 -30.78 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 71.13 111.099 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -25.63 53.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 73.21 112.512 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 61.32 110.843 -179.764 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.875 0.369 . . . . 75.44 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.45 64.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 74.33 112.479 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.58 12.95 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 73.54 111.143 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.66 35.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.43 111.117 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.34 -21.8 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.24 111.161 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.54 -13.42 26.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 72.04 112.472 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.07 -25.59 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 62.34 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.557 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -118.29 20.1 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.894 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.43 -39.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.21 111.168 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.14 101.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 61.41 112.494 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.77 -23.06 32.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 71.42 112.502 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.2 t -85.3 -27.92 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 70.02 111.102 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 62.25 111.093 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.93 0.395 . . . . 72.24 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.19 23.1 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 65.34 110.862 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -105.01 28.66 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.811 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.01 114.92 26.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 72.31 110.899 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.26 -20.91 63.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 30.05 110.849 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.77 -34.06 1.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 62.21 112.49 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -22.51 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 64.44 110.932 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.33 65.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 65.2 110.887 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.45 -157.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 73.41 111.153 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.77 -26.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 62.13 110.836 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -43.83 -34.05 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 72.54 110.839 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -112.66 95.92 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 73.2 110.906 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -128.95 -0.82 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 51.03 110.902 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -119.32 -26.91 5.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 65.24 110.911 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 18' ' ' VAL . 9.6 p -83.89 2.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.112 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -90.31 17.46 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 71.25 110.926 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.31 19.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 62.32 110.871 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.28 -30.73 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 71.4 111.089 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.46 58.14 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.32 110.9 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -176.57 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.863 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -76.83 -65.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 62.33 111.144 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.56 -24.57 39.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 61.51 112.478 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 73.3 110.853 -179.777 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.775 0.321 . . . . 74.12 110.908 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.72 33.18 34.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 63.22 112.465 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.78 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 71.45 111.113 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.42 38.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.14 111.152 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CD1' HG11 ' A' ' 36' ' ' VAL . 5.1 tp -75.07 -22.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.122 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.04 -11.92 28.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 73.21 112.502 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -109.57 -24.28 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.797 0.332 . . . . 62.31 110.916 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.0 ttp -118.79 19.32 13.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 63.41 110.914 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 35' ' ' MET . 2.0 t -160.64 -39.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.13 111.164 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.14 -59.71 9.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 75.21 112.494 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.99 19.77 46.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 72.55 112.523 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.5 t -117.59 -59.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 44.52 111.12 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.13 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.854 0.359 . . . . 73.21 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -93.88 18.95 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 71.54 110.886 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.55 27.4 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.798 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -89.69 113.19 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 62.43 110.844 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 p -71.33 -9.77 58.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.832 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.91 -25.34 1.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 55.43 112.469 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.83 -22.89 17.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 71.52 110.892 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -112.46 42.6 1.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 75.52 110.878 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.55 -158.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 53.33 111.11 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.81 -26.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.846 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -44.34 -37.56 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.846 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.39 146.11 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 71.23 110.923 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG2' HD22 ' A' ' 17' ' ' LEU . 19.3 tttt 177.15 -28.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.906 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.445 HD22 ' HG2' ' A' ' 16' ' ' LYS . 4.5 mm? -103.86 -20.12 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 18' ' ' VAL . 9.9 p -83.22 2.11 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.128 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -90.18 17.53 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 71.1 110.878 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -152.46 19.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 71.51 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.92 -30.37 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 40.32 111.114 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -80.23 58.32 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.883 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -173.46 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 63.12 110.875 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.8 t -55.52 -51.52 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 62.4 111.147 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.77 78.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 74.54 112.51 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 63.41 110.833 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.797 0.332 . . . . 74.03 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.84 32.98 27.19 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.714 -0.755 . . . . 72.2 112.549 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.54 -33.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 63.21 111.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.26 38.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 64.22 111.099 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' HG11 ' A' ' 36' ' ' VAL . 5.2 tp -75.17 -22.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.139 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.01 -11.58 29.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.799 -0.715 . . . . 75.15 112.473 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.13 -24.15 10.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.327 . . . . 74.24 110.927 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.534 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -118.98 19.51 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 61.5 110.855 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 35' ' ' MET . 2.1 t -160.64 -39.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 73.34 111.106 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.19 104.4 0.34 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 50.23 112.461 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.14 19.87 63.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 51.41 112.466 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.16 -70.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 52.41 111.114 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 40' ' ' VAL . 6.6 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 70.42 111.089 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.821 0.343 . . . . 63.41 110.855 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -11.86 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.828 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -136.07 91.81 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.868 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.64 116.48 23.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.847 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -8.66 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 65.42 110.805 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.88 -30.22 0.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.747 . . . . 75.54 112.468 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.37 -21.56 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.382 . . . . 75.35 110.892 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.45 50.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.3 -157.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 65.2 111.134 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -24.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.882 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -44.54 -37.39 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.845 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.517 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -156.34 118.38 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.902 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -134.12 3.43 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.899 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.4 mt -123.34 -8.32 8.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 61.41 110.906 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 15' ' ' GLN . 6.0 p -86.39 5.89 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 70.22 111.091 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.55 16.29 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 72.45 110.896 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -150.53 18.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 70.2 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.68 -29.65 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 73.33 111.133 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -84.51 57.2 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.893 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -177.67 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 73.54 110.858 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.7 t -52.0 -30.01 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 71.31 111.134 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.5 -30.98 43.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 74.42 112.51 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 72.22 110.873 -179.729 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.78 0.324 . . . . 73.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.06 -16.31 60.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 73.2 112.471 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.69 10.3 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 74.42 111.095 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.86 43.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 71.23 111.136 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -78.21 -20.26 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.53 111.095 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.4 -8.49 43.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 74.15 112.534 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.05 -24.91 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 73.35 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.534 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.1 ttm -120.94 22.35 11.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.21 110.907 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 35' ' ' MET . 2.1 t -160.42 -38.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.12 111.126 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.59 -59.2 10.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 74.35 112.487 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.07 19.62 48.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 73.44 112.522 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -120.55 -69.15 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 73.3 111.155 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.11 111.161 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.857 0.361 . . . . 61.4 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.25 23.05 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 54.14 110.834 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.8 34.14 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.43 113.18 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.911 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.25 -10.84 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.893 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.27 -34.13 0.51 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 31.01 112.482 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 14.42 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.886 0.374 . . . . 65.21 110.982 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -148.53 31.67 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.885 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.3 -157.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 51.33 111.162 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -26.49 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 64.12 110.867 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.06 -38.14 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.866 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.45 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -133.64 118.79 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.887 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -134.48 3.83 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.948 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.67 -6.81 8.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.43 110.884 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 15' ' ' GLN . 6.6 p -85.44 5.69 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 73.01 111.127 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -90.93 17.65 7.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 63.1 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -152.62 19.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.35 110.894 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.23 -28.56 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.12 111.093 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -82.19 57.85 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.906 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -174.38 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.848 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.62 -30.05 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 64.5 111.165 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -20.63 44.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 51.02 112.506 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 72.24 110.884 -179.782 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.78 0.324 . . . . 62.51 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.85 32.88 27.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.745 . . . . 64.04 112.484 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.59 -33.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 64.22 111.117 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.21 37.01 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.161 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.432 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -74.72 -23.12 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 73.44 111.177 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.02 -11.43 29.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 73.24 112.493 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 34' ' ' LEU . 8.1 tp -109.73 -24.33 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 73.14 110.916 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.521 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.0 ttp -118.69 18.45 13.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 61.11 110.885 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 35' ' ' MET . 2.1 t -160.2 -39.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 65.51 111.123 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.08 -59.68 9.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 72.33 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.24 20.3 44.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 31.4 112.492 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.9 t -119.94 -65.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 75.31 111.159 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.13 111.118 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.866 0.365 . . . . 72.32 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 23.07 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 71.01 110.854 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -106.48 30.01 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 73.43 110.888 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.81 115.65 27.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 74.05 110.884 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.1 -7.67 52.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.874 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.28 -29.35 0.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 55.41 112.523 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -93.12 -18.5 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 75.44 110.943 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -117.67 44.99 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 72.23 110.906 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.35 -157.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 63.44 111.154 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.75 -26.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 65.35 110.896 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -44.33 -37.71 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.852 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.98 146.36 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.926 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.9 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 62.4 110.931 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.43 -25.2 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 70.21 110.907 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.8 -10.14 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 63.24 111.136 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -83.65 49.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.912 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -179.99 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.853 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -22.78 65.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 63.33 111.121 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -90.85 55.64 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -174.21 32.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 71.3 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.11 -32.64 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 70.35 111.145 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.69 18.65 52.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 74.11 112.507 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 71.42 110.88 -179.771 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.817 0.341 . . . . 63.2 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.75 33.34 27.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 70.13 112.468 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.07 -33.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 51.22 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.827 HG23 HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -118.29 38.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.111 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.49 ' CD1' HG11 ' A' ' 36' ' ' VAL . 5.3 tp -76.48 -21.88 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 72.24 111.095 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.06 -10.97 30.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 72.31 112.513 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.827 HD12 HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -111.76 -24.12 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 62.2 110.907 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.548 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 ttm -118.68 20.66 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.52 110.922 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.552 HG22 ' CG1' ' A' ' 40' ' ' VAL . 2.0 t -160.96 -39.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 63.05 111.116 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.52 107.03 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 72.34 112.482 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.41 24.2 61.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 65.32 112.49 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.3 t -127.75 -55.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.372 . . . . 50.54 111.135 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.552 ' CG1' HG22 ' A' ' 36' ' ' VAL . 6.9 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.13 111.119 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.862 0.363 . . . . 72.03 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.76 -40.26 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 63.15 111.125 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.85 -51.55 69.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 71.51 110.871 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -33.16 63.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.927 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.26 23.35 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 65.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -105.02 28.38 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 72.51 110.846 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.11 114.91 26.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 71.43 110.823 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -20.84 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 64.21 110.84 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.8 -34.05 1.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 65.34 112.521 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.32 -22.45 38.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 72.24 110.919 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.32 65.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.888 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.35 -157.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.105 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.84 -26.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 64.13 110.842 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.76 -34.13 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.835 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -111.8 97.08 6.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.937 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.7 4.41 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.927 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.37 -35.83 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 60.11 110.884 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.81 -11.85 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 74.23 111.128 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -81.73 52.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.902 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.83 -33.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 74.33 110.898 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.45 65.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 51.11 111.069 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.66 57.24 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -176.98 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.43 110.878 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.84 -26.12 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.14 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.72 -20.42 61.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 71.41 112.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -89.29 52.96 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 72.32 110.827 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -53.93 -43.92 70.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.32 110.873 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.23 127.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 74.31 110.883 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.45 64.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 22.13 112.49 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.55 12.81 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.331 . . . . 51.53 111.1 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.51 35.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 74.32 111.155 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.32 -21.74 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 54.14 111.122 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.58 -13.56 25.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 52.11 112.503 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.97 -25.56 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 71.14 110.938 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.553 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.4 ttm -118.35 20.13 13.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.898 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.42 -39.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.34 111.124 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.85 92.48 0.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 55.13 112.523 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.34 25.76 25.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 34.42 112.462 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -134.74 -65.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 74.1 111.155 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.7 t -84.36 140.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 74.43 111.147 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.91 -59.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.158 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 63.41 111.111 179.791 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.81 0.338 . . . . 71.11 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.23 24.27 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 72.24 111.11 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -84.38 -54.83 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.54 110.818 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -56.6 -31.23 64.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.916 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -93.83 18.91 9.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.891 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.11 26.93 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.844 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -89.65 112.97 24.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.7 p -71.61 -9.6 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.853 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.09 -24.18 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 43.42 112.433 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.11 -23.51 16.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 72.43 110.878 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.36 40.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.1 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.94 -158.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 72.03 111.152 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -26.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.44 110.802 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -44.16 -37.62 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.51 110.861 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.74 146.33 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.11 110.918 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt 176.97 -28.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.916 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.4 -25.41 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 70.2 110.895 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.94 -10.11 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.105 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -83.77 49.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 24' ' ' VAL . 27.2 t80 179.94 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 50.25 110.87 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.26 -22.28 65.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 65.25 111.069 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -91.11 56.28 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 61.51 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -177.46 -36.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 62.41 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 20' ' ' PHE . 58.4 t -54.12 -28.48 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 71.33 111.153 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.17 -24.5 51.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 74.31 112.452 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -85.35 54.52 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 42.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -52.1 -44.1 64.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.859 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.22 127.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 70.14 110.921 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.74 -14.43 64.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 51.43 112.487 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.48 12.7 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 51.33 111.121 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.48 35.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 53.4 111.142 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.47 -21.8 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 53.1 111.107 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 -13.24 26.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 74.42 112.493 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.37 -25.53 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 70.34 110.923 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -118.29 20.12 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.89 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.33 -39.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 70.51 111.135 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.89 105.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 70.43 112.5 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.3 25.57 61.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 62.32 112.474 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.616 HG12 HG23 ' A' ' 40' ' ' VAL . 59.0 t -132.99 -69.4 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 75.12 111.139 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.616 HG23 HG12 ' A' ' 39' ' ' VAL . 48.7 t -119.92 94.1 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 61.42 111.134 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.492 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.6 mp -84.07 -68.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 64.23 111.19 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 74.32 111.06 179.785 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.795 0.331 . . . . 71.55 110.833 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.15 -28.82 6.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.41 111.097 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.33 -55.51 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.892 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -29.32 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.929 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.22 19.87 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.873 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.78 31.69 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.841 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.6 116.27 28.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 62.12 110.893 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -8.75 56.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 62.32 110.838 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.95 -30.67 0.92 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 73.43 112.485 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -90.0 -21.14 22.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 74.02 110.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -115.72 50.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 73.04 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.99 -157.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 52.44 111.127 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.73 -24.77 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.837 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -44.11 -37.98 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.53 110.859 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.57 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -154.63 117.91 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.42 110.931 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' C ' HD22 ' A' ' 17' ' ' LEU . 75.1 tttt -133.43 1.79 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.885 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 16' ' ' LYS . 4.4 mm? -121.34 -15.07 8.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 62.35 110.94 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 15' ' ' GLN . 4.7 p -84.05 2.99 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.12 111.158 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -90.55 17.45 7.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.51 110.871 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.31 19.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 71.04 110.875 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.04 -29.96 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.07 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.62 57.41 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.86 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -174.21 32.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.875 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.5 t -117.13 -26.25 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.01 111.138 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -55.3 -37.32 64.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 75.3 112.497 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m -92.71 50.95 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 75.01 110.8 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -63.63 -45.28 90.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 65.13 110.828 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.25 128.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 61.21 110.887 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.55 64.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 42.35 112.454 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.52 13.66 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 74.24 111.108 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -140.52 34.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 70.33 111.127 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.44 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.6 tp -70.35 -20.81 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 45.02 111.154 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.68 -17.93 12.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 64.24 112.548 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.3 -21.96 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 62.45 110.947 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.557 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.5 ttm -121.79 20.69 10.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.85 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 35' ' ' MET . 1.3 t -163.65 -50.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 72.32 111.157 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 36' ' ' VAL . . . 46.48 78.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.739 -0.743 . . . . 62.34 112.513 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.1 64.06 3.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 74.24 112.457 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.751 HG12 HG23 ' A' ' 40' ' ' VAL . 48.8 t -146.35 -75.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 52.4 111.17 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG23 HG12 ' A' ' 39' ' ' VAL . 94.9 t -102.53 88.88 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 65.41 111.122 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.3 mm -82.0 85.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 45.04 111.168 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.01 111.099 179.803 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.803 0.335 . . . . 63.22 110.858 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.36 29.9 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 75.23 111.117 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -89.02 -54.31 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 75.1 110.937 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.56 -48.49 69.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.87 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -21.22 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 73.4 110.833 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -70.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.878 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.439 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 6.8 t70 71.63 -70.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.842 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -72.94 78.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 45.52 110.902 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.42 -31.39 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 70.31 112.516 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -102.15 -22.17 14.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 74.53 110.933 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.6 tt0 -95.35 12.44 29.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.88 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.74 -154.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 61.54 111.133 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -25.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.875 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -42.3 -37.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 61.23 110.867 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.3 146.19 46.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 61.22 110.923 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt 176.94 -28.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 65.21 110.895 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -21.43 9.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.894 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 18' ' ' VAL . 9.6 p -86.31 5.8 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.53 111.138 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -90.87 17.53 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 60.11 110.866 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -152.67 19.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 65.01 110.876 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.69 -29.78 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.2 111.091 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 57.96 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.869 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -176.45 -38.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.5 110.894 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -52.97 -29.3 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.22 111.111 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.15 -23.83 41.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 55.4 112.463 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 m -89.87 53.93 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 52.15 110.837 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -54.24 -68.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.883 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.22 127.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 53.13 110.884 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.4 61.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 72.32 112.495 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.61 14.45 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.735 0.302 . . . . 72.31 111.112 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -141.24 36.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.099 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.29 -21.63 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 74.32 111.136 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 -13.57 25.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 61.44 112.508 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.87 -25.47 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 70.23 110.916 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.555 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.7 ttm -118.38 20.16 13.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.917 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.53 -39.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.04 111.145 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.21 101.49 0.23 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 53.32 112.465 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.12 22.04 55.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 64.41 112.518 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.3 t -132.03 -51.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 74.01 111.169 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.89 128.63 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.0 111.132 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.59 -51.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.52 111.173 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 61.41 111.129 179.809 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t70 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.81 0.338 . . . . 71.45 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.56 -30.99 24.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 23.32 111.076 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.89 -52.46 49.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 74.52 110.919 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -55.51 -33.55 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.849 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.89 22.38 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.868 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -103.27 28.23 6.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.04 110.812 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.9 113.36 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 63.3 110.868 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -70.67 -6.94 40.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.2 110.873 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.19 -20.49 4.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 75.31 112.513 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -100.07 -22.86 15.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 64.21 110.908 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -89.57 10.53 22.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 64.03 110.949 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.02 -154.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.149 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -23.71 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.01 110.858 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -41.14 -37.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 72.1 110.859 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -145.6 125.64 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.873 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -132.69 2.07 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 72.51 110.9 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.5 -27.51 5.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.963 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 15' ' ' GLN . 5.7 p -56.71 -23.25 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 73.04 111.133 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -77.67 54.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.2 OUTLIER 176.89 -32.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 54.02 110.845 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.08 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 65.31 111.078 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.62 56.88 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.922 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -177.73 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 71.52 110.885 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 20' ' ' PHE . 61.0 t -52.33 -30.78 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 71.13 111.099 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -25.63 53.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 73.21 112.512 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -88.89 59.22 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 61.32 110.843 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -54.4 -44.21 72.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 64.41 110.883 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? 67.21 127.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.832 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.45 64.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 74.33 112.479 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.58 12.95 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 73.54 111.143 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.66 35.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.43 111.117 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.34 -21.8 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.24 111.161 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.54 -13.42 26.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 72.04 112.472 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.07 -25.59 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 62.34 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.557 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -118.29 20.1 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.894 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.43 -39.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.21 111.168 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.14 101.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 61.41 112.494 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.77 -23.06 32.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 71.42 112.502 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.2 t -85.3 -27.92 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 70.02 111.102 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -81.4 150.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 62.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -140.08 113.91 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.099 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 63.23 111.112 179.803 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.817 0.341 . . . . 64.3 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.26 -37.46 52.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.141 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.34 -51.76 66.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 63.23 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -55.55 -32.66 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 72.24 110.901 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.19 23.1 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 65.34 110.862 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -105.01 28.66 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.811 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.01 114.92 26.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 72.31 110.899 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.26 -20.91 63.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 30.05 110.849 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.77 -34.06 1.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 62.21 112.49 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -22.51 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 64.44 110.932 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.33 65.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 65.2 110.887 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.45 -157.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 73.41 111.153 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.77 -26.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 62.13 110.836 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -43.83 -34.05 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 72.54 110.839 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -112.66 95.92 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 73.2 110.906 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -128.95 -0.82 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 51.03 110.902 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -119.32 -26.91 5.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 65.24 110.911 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 18' ' ' VAL . 9.6 p -83.89 2.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.112 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -90.31 17.46 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 71.25 110.926 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.31 19.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 62.32 110.871 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.28 -30.73 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 71.4 111.089 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.46 58.14 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.32 110.9 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -176.57 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.863 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -76.83 -65.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 62.33 111.144 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.56 -24.57 39.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 61.51 112.478 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -115.65 77.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 73.3 110.853 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.22 36.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 63.02 110.89 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.22 -158.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 74.12 110.908 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.72 33.18 34.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 63.22 112.465 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.78 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 71.45 111.113 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.42 38.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.14 111.152 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CD1' HG11 ' A' ' 36' ' ' VAL . 5.1 tp -75.07 -22.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.122 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.04 -11.92 28.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 73.21 112.502 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -109.57 -24.28 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.797 0.332 . . . . 62.31 110.916 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.0 ttp -118.79 19.32 13.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 63.41 110.914 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 35' ' ' MET . 2.0 t -160.64 -39.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.13 111.164 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.14 -59.71 9.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 75.21 112.494 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.99 19.77 46.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 72.55 112.523 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.5 t -117.59 -59.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 44.52 111.12 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.1 p -125.16 145.13 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.13 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.39 116.06 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.134 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 72.51 111.1 179.8 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.7 t0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.809 0.338 . . . . 75.1 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.68 24.38 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.04 111.082 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -82.1 -54.58 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.862 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -56.77 -30.63 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.858 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -93.88 18.95 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 71.54 110.886 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.55 27.4 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.798 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -89.69 113.19 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 62.43 110.844 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 p -71.33 -9.77 58.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.832 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.91 -25.34 1.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 55.43 112.469 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.83 -22.89 17.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 71.52 110.892 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -112.46 42.6 1.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 75.52 110.878 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.55 -158.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 53.33 111.11 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.81 -26.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.846 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -44.34 -37.56 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.846 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.39 146.11 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 71.23 110.923 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG2' HD22 ' A' ' 17' ' ' LEU . 19.3 tttt 177.15 -28.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.906 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.445 HD22 ' HG2' ' A' ' 16' ' ' LYS . 4.5 mm? -103.86 -20.12 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 18' ' ' VAL . 9.9 p -83.22 2.11 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.128 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -90.18 17.53 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 71.1 110.878 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -152.46 19.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 71.51 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.92 -30.37 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 40.32 111.114 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -80.23 58.32 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.883 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -173.46 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 63.12 110.875 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.8 t -55.52 -51.52 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 62.4 111.147 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.77 78.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 74.54 112.51 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.55 103.82 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 63.41 110.833 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -94.53 39.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 71.23 110.878 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -124.99 -155.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.919 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.84 32.98 27.19 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.714 -0.755 . . . . 72.2 112.549 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.54 -33.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 63.21 111.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.26 38.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 64.22 111.099 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' HG11 ' A' ' 36' ' ' VAL . 5.2 tp -75.17 -22.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.139 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.01 -11.58 29.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.799 -0.715 . . . . 75.15 112.473 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.13 -24.15 10.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.327 . . . . 74.24 110.927 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.534 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -118.98 19.51 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 61.5 110.855 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 35' ' ' MET . 2.1 t -160.64 -39.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 73.34 111.106 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.19 104.4 0.34 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 50.23 112.461 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.14 19.87 63.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 51.41 112.466 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.16 -70.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 52.41 111.114 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 40' ' ' VAL . 6.6 p -106.54 23.64 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 70.42 111.089 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 pt -147.62 -171.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 60.45 111.072 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 52.41 111.118 179.818 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.783 0.325 . . . . 74.1 110.834 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.39 -39.56 79.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 63.51 111.069 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -55.63 -42.25 74.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.869 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -50.72 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.855 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -11.86 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.828 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -136.07 91.81 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.868 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.64 116.48 23.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.847 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -8.66 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 65.42 110.805 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.88 -30.22 0.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.747 . . . . 75.54 112.468 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.37 -21.56 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.382 . . . . 75.35 110.892 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.45 50.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.3 -157.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 65.2 111.134 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -24.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.882 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -44.54 -37.39 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.845 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.517 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -156.34 118.38 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.902 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -134.12 3.43 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.899 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.4 mt -123.34 -8.32 8.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 61.41 110.906 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 15' ' ' GLN . 6.0 p -86.39 5.89 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 70.22 111.091 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.55 16.29 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 72.45 110.896 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -150.53 18.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 70.2 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.68 -29.65 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 73.33 111.133 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -84.51 57.2 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.893 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -177.67 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 73.54 110.858 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.7 t -52.0 -30.01 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 71.31 111.134 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.5 -30.98 43.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 74.42 112.51 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.2 p -115.68 85.85 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 72.22 110.873 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.534 ' OD1' ' HB3' ' A' ' 30' ' ' ALA . 7.1 t-20 -52.26 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 55.34 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.3 129.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 73.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.06 -16.31 60.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 73.2 112.471 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 27' ' ' ASN . . . -130.69 10.3 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 74.42 111.095 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.86 43.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 71.23 111.136 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -78.21 -20.26 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.53 111.095 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.4 -8.49 43.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 74.15 112.534 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.05 -24.91 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 73.35 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.534 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.1 ttm -120.94 22.35 11.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.21 110.907 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 35' ' ' MET . 2.1 t -160.42 -38.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.12 111.126 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.59 -59.2 10.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 74.35 112.487 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.07 19.62 48.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 73.44 112.522 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -120.55 -69.15 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 73.3 111.155 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -92.6 129.94 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.11 111.161 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.9 mm -120.59 95.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 42.35 111.167 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 63.0 111.074 179.827 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.847 0.356 . . . . 63.14 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.27 24.45 5.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.54 111.068 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -58.63 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.899 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -56.46 -27.2 56.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 61.4 110.892 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.25 23.05 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 54.14 110.834 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.8 34.14 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.43 113.18 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.911 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.25 -10.84 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.893 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.27 -34.13 0.51 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 31.01 112.482 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 14.42 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.886 0.374 . . . . 65.21 110.982 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -148.53 31.67 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.885 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.3 -157.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 51.33 111.162 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -26.49 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 64.12 110.867 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.06 -38.14 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.866 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.45 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -133.64 118.79 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.887 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -134.48 3.83 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.948 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.67 -6.81 8.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.43 110.884 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 15' ' ' GLN . 6.6 p -85.44 5.69 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 73.01 111.127 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -90.93 17.65 7.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 63.1 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -152.62 19.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.35 110.894 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.23 -28.56 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.12 111.093 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -82.19 57.85 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.906 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -174.38 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.848 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.62 -30.05 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 64.5 111.165 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -20.63 44.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 51.02 112.506 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -113.42 78.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 72.24 110.884 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -94.26 40.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 71.12 110.889 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -124.76 -155.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 62.51 110.948 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.85 32.88 27.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.745 . . . . 64.04 112.484 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.59 -33.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 64.22 111.117 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.613 HD12 ' HE1' ' A' ' 35' ' ' MET . 0.0 OUTLIER -120.21 37.01 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.161 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.432 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -74.72 -23.12 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 73.44 111.177 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.02 -11.43 29.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 73.24 112.493 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 34' ' ' LEU . 8.1 tp -109.73 -24.33 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 73.14 110.916 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.613 ' HE1' HD12 ' A' ' 31' ' ' ILE . 3.0 ttp -118.69 18.45 13.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 61.11 110.885 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 35' ' ' MET . 2.1 t -160.2 -39.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 65.51 111.123 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.08 -59.68 9.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 72.33 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.24 20.3 44.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 31.4 112.492 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.9 t -119.94 -65.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 75.31 111.159 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 p -127.19 123.93 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.13 111.118 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.17 44.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 65.55 111.18 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 40.32 111.056 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.84 0.353 . . . . 73.23 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.14 -40.07 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 70.04 111.06 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -51.73 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 63.21 110.862 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -55.69 -32.11 62.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 23.07 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 71.01 110.854 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -106.48 30.01 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 73.43 110.888 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.81 115.65 27.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 74.05 110.884 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.1 -7.67 52.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.874 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.28 -29.35 0.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 55.41 112.523 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -93.12 -18.5 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 75.44 110.943 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -117.67 44.99 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 72.23 110.906 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.35 -157.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 63.44 111.154 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.75 -26.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 65.35 110.896 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -44.33 -37.71 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.852 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.98 146.36 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.926 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.9 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 62.4 110.931 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.43 -25.2 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 70.21 110.907 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.8 -10.14 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 63.24 111.136 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -83.65 49.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.912 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -179.99 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.853 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -22.78 65.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 63.33 111.121 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -90.85 55.64 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -174.21 32.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 71.3 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.11 -32.64 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 70.35 111.145 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.69 18.65 52.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 74.11 112.507 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -56.85 -25.29 56.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 71.42 110.88 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.424 ' HB2' ' HE1' ' A' ' 35' ' ' MET . 86.0 m-20 58.8 68.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 62.34 110.884 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.06 -159.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.2 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.75 33.34 27.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 70.13 112.468 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.07 -33.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 51.22 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.827 HG23 HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -118.29 38.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.111 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.49 ' CD1' HG11 ' A' ' 36' ' ' VAL . 5.3 tp -76.48 -21.88 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 72.24 111.095 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.06 -10.97 30.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 72.31 112.513 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.827 HD12 HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -111.76 -24.12 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 62.2 110.907 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.548 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 ttm -118.68 20.66 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.52 110.922 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.552 HG22 ' CG1' ' A' ' 40' ' ' VAL . 2.0 t -160.96 -39.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 63.05 111.116 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.52 107.03 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 72.34 112.482 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.41 24.2 61.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 65.32 112.49 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.3 t -127.75 -55.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.372 . . . . 50.54 111.135 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.552 ' CG1' HG22 ' A' ' 36' ' ' VAL . 6.9 p -125.37 -38.05 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.13 111.119 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.534 HD12 ' C ' ' A' ' 40' ' ' VAL . 1.9 mp 70.88 -70.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.33 111.117 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 53.11 111.076 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.822 0.344 . . . . 74.25 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.26 23.35 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 65.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -105.02 28.38 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 72.51 110.846 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.11 114.91 26.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 71.43 110.823 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -20.84 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 64.21 110.84 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.8 -34.05 1.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 65.34 112.521 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.32 -22.45 38.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 72.24 110.919 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.32 65.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.888 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.35 -157.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.105 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.84 -26.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 64.13 110.842 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.76 -34.13 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.835 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -111.8 97.08 6.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.937 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.7 4.41 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.927 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.37 -35.83 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 60.11 110.884 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.81 -11.85 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 74.23 111.128 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -81.73 52.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.902 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.83 -33.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 74.33 110.898 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.45 65.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 51.11 111.069 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.66 57.24 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -176.98 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.43 110.878 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.84 -26.12 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.14 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.72 -20.42 61.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 71.41 112.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 72.32 110.827 -179.701 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.835 0.35 . . . . 74.31 110.883 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.45 64.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 22.13 112.49 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.55 12.81 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.331 . . . . 51.53 111.1 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.51 35.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 74.32 111.155 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.32 -21.74 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 54.14 111.122 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.58 -13.56 25.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 52.11 112.503 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.97 -25.56 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 71.14 110.938 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.553 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.4 ttm -118.35 20.13 13.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.898 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.42 -39.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.34 111.124 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.85 92.48 0.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 55.13 112.523 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.34 25.76 25.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 34.42 112.462 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -134.74 -65.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 74.1 111.155 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 74.43 111.147 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.874 0.369 . . . . 72.44 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -93.83 18.91 9.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.891 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.11 26.93 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.844 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -89.65 112.97 24.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.7 p -71.61 -9.6 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.853 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.09 -24.18 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 43.42 112.433 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.11 -23.51 16.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 72.43 110.878 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.36 40.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.1 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.94 -158.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 72.03 111.152 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -26.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.44 110.802 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -44.16 -37.62 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.51 110.861 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -135.74 146.33 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.11 110.918 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt 176.97 -28.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.916 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.4 -25.41 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 70.2 110.895 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.94 -10.11 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.105 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -83.77 49.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 24' ' ' VAL . 27.2 t80 179.94 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 50.25 110.87 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.26 -22.28 65.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 65.25 111.069 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -91.11 56.28 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 61.51 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -177.46 -36.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 62.41 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 20' ' ' PHE . 58.4 t -54.12 -28.48 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 71.33 111.153 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.17 -24.5 51.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 74.31 112.452 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 42.0 110.856 -179.749 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.811 0.338 . . . . 70.14 110.921 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.74 -14.43 64.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 51.43 112.487 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.48 12.7 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 51.33 111.121 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.48 35.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 53.4 111.142 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.47 -21.8 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 53.1 111.107 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 -13.24 26.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 74.42 112.493 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.37 -25.53 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 70.34 110.923 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -118.29 20.12 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.89 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.33 -39.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 70.51 111.135 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.89 105.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 70.43 112.5 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.3 25.57 61.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 62.32 112.474 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.616 HG12 HG23 ' A' ' 40' ' ' VAL . 59.0 t -132.99 -69.4 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 75.12 111.139 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.616 HG23 HG12 ' A' ' 39' ' ' VAL . 48.7 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 61.42 111.134 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.833 0.349 . . . . 73.34 110.929 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.22 19.87 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.873 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.78 31.69 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.841 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.6 116.27 28.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 62.12 110.893 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -8.75 56.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 62.32 110.838 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.95 -30.67 0.92 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 73.43 112.485 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -90.0 -21.14 22.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 74.02 110.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -115.72 50.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 73.04 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.432 ' N ' HE22 ' A' ' 15' ' ' GLN . 0.1 OUTLIER -122.99 -157.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 52.44 111.127 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.73 -24.77 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.837 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -44.11 -37.98 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.53 110.859 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.57 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -154.63 117.91 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.42 110.931 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' C ' HD22 ' A' ' 17' ' ' LEU . 75.1 tttt -133.43 1.79 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.885 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 16' ' ' LYS . 4.4 mm? -121.34 -15.07 8.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 62.35 110.94 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 15' ' ' GLN . 4.7 p -84.05 2.99 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.12 111.158 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -90.55 17.45 7.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.51 110.871 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.31 19.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 71.04 110.875 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.04 -29.96 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.07 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.62 57.41 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.86 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -174.21 32.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.875 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.5 t -117.13 -26.25 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.01 111.138 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -55.3 -37.32 64.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 75.3 112.497 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 75.01 110.8 -179.687 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.827 0.346 . . . . 61.21 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.55 64.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 42.35 112.454 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.52 13.66 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 74.24 111.108 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -140.52 34.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 70.33 111.127 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.44 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.6 tp -70.35 -20.81 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 45.02 111.154 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.68 -17.93 12.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 64.24 112.548 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.3 -21.96 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 62.45 110.947 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.557 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.5 ttm -121.79 20.69 10.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.85 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 35' ' ' MET . 1.3 t -163.65 -50.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 72.32 111.157 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 36' ' ' VAL . . . 46.48 78.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.739 -0.743 . . . . 62.34 112.513 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.1 64.06 3.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 74.24 112.457 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.751 HG12 HG23 ' A' ' 40' ' ' VAL . 48.8 t -146.35 -75.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 52.4 111.17 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG23 HG12 ' A' ' 39' ' ' VAL . 94.9 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 65.41 111.122 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.876 0.369 . . . . 74.11 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -21.22 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 73.4 110.833 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -70.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.878 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.439 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 6.8 t70 71.63 -70.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.842 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -72.94 78.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 45.52 110.902 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.42 -31.39 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 70.31 112.516 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -102.15 -22.17 14.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 74.53 110.933 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.6 tt0 -95.35 12.44 29.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.88 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.74 -154.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 61.54 111.133 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -25.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.875 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -42.3 -37.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 61.23 110.867 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -136.3 146.19 46.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 61.22 110.923 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt 176.94 -28.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 65.21 110.895 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -21.43 9.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.894 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 18' ' ' VAL . 9.6 p -86.31 5.8 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.53 111.138 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -90.87 17.53 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 60.11 110.866 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -152.67 19.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 65.01 110.876 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.69 -29.78 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.2 111.091 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 57.96 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.869 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -176.45 -38.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.5 110.894 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -52.97 -29.3 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.22 111.111 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.15 -23.83 41.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 55.4 112.463 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 52.15 110.837 -179.695 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.845 0.355 . . . . 53.13 110.884 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.4 61.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 72.32 112.495 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.61 14.45 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.735 0.302 . . . . 72.31 111.112 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -141.24 36.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.099 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.29 -21.63 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 74.32 111.136 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 -13.57 25.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 61.44 112.508 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.87 -25.47 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 70.23 110.916 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.555 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.7 ttm -118.38 20.16 13.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.917 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.53 -39.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.04 111.145 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.21 101.49 0.23 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 53.32 112.465 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.12 22.04 55.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 64.41 112.518 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.3 t -132.03 -51.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 74.01 111.169 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.0 111.132 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.806 0.336 . . . . 74.04 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.89 22.38 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.868 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -103.27 28.23 6.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.04 110.812 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.9 113.36 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 63.3 110.868 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -70.67 -6.94 40.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.2 110.873 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.19 -20.49 4.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 75.31 112.513 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -100.07 -22.86 15.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 64.21 110.908 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -89.57 10.53 22.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 64.03 110.949 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.02 -154.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.149 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -23.71 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.01 110.858 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -41.14 -37.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 72.1 110.859 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HB2' HG12 ' A' ' 18' ' ' VAL . 1.5 pp0? -145.6 125.64 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.873 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -132.69 2.07 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 72.51 110.9 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.5 -27.51 5.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.963 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 15' ' ' GLN . 5.7 p -56.71 -23.25 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 73.04 111.133 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -77.67 54.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.2 OUTLIER 176.89 -32.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 54.02 110.845 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.08 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 65.31 111.078 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.62 56.88 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.922 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -177.73 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 71.52 110.885 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 20' ' ' PHE . 61.0 t -52.33 -30.78 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 71.13 111.099 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -25.63 53.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 73.21 112.512 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 61.32 110.843 -179.764 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.875 0.369 . . . . 75.44 110.832 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.45 64.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 74.33 112.479 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.58 12.95 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 73.54 111.143 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.66 35.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.43 111.117 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.34 -21.8 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.24 111.161 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.54 -13.42 26.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 72.04 112.472 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.07 -25.59 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 62.34 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.557 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -118.29 20.1 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.894 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.43 -39.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.21 111.168 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.14 101.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 61.41 112.494 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.77 -23.06 32.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 71.42 112.502 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.2 t -85.3 -27.92 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 70.02 111.102 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 62.25 111.093 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.93 0.395 . . . . 72.24 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.19 23.1 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 65.34 110.862 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -105.01 28.66 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.811 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.01 114.92 26.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 72.31 110.899 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.26 -20.91 63.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 30.05 110.849 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.77 -34.06 1.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 62.21 112.49 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -22.51 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 64.44 110.932 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.33 65.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 65.2 110.887 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.45 -157.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 73.41 111.153 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.77 -26.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 62.13 110.836 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -43.83 -34.05 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 72.54 110.839 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -112.66 95.92 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 73.2 110.906 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -128.95 -0.82 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 51.03 110.902 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -119.32 -26.91 5.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 65.24 110.911 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 18' ' ' VAL . 9.6 p -83.89 2.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.112 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -90.31 17.46 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 71.25 110.926 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.31 19.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 62.32 110.871 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.28 -30.73 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 71.4 111.089 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.46 58.14 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.32 110.9 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -176.57 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.863 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -76.83 -65.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 62.33 111.144 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.56 -24.57 39.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 61.51 112.478 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 73.3 110.853 -179.777 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.775 0.321 . . . . 74.12 110.908 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.72 33.18 34.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 63.22 112.465 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.78 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 71.45 111.113 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.42 38.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.14 111.152 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CD1' HG11 ' A' ' 36' ' ' VAL . 5.1 tp -75.07 -22.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.122 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.04 -11.92 28.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 73.21 112.502 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -109.57 -24.28 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.797 0.332 . . . . 62.31 110.916 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.0 ttp -118.79 19.32 13.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 63.41 110.914 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 35' ' ' MET . 2.0 t -160.64 -39.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.13 111.164 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.14 -59.71 9.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 75.21 112.494 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.99 19.77 46.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 72.55 112.523 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.5 t -117.59 -59.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 44.52 111.12 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.13 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.854 0.359 . . . . 73.21 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -93.88 18.95 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 71.54 110.886 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.55 27.4 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.798 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -89.69 113.19 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 62.43 110.844 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 p -71.33 -9.77 58.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.832 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.91 -25.34 1.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 55.43 112.469 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.83 -22.89 17.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 71.52 110.892 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -112.46 42.6 1.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 75.52 110.878 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.55 -158.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 53.33 111.11 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.81 -26.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.846 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -44.34 -37.56 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.846 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -136.39 146.11 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 71.23 110.923 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG2' HD22 ' A' ' 17' ' ' LEU . 19.3 tttt 177.15 -28.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.906 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.445 HD22 ' HG2' ' A' ' 16' ' ' LYS . 4.5 mm? -103.86 -20.12 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 18' ' ' VAL . 9.9 p -83.22 2.11 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.128 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -90.18 17.53 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 71.1 110.878 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -152.46 19.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 71.51 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.92 -30.37 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 40.32 111.114 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -80.23 58.32 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.883 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -173.46 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 63.12 110.875 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.8 t -55.52 -51.52 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 62.4 111.147 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.77 78.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 74.54 112.51 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 63.41 110.833 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.797 0.332 . . . . 74.03 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.84 32.98 27.19 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.714 -0.755 . . . . 72.2 112.549 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.54 -33.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 63.21 111.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.26 38.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 64.22 111.099 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' HG11 ' A' ' 36' ' ' VAL . 5.2 tp -75.17 -22.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.139 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.01 -11.58 29.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.799 -0.715 . . . . 75.15 112.473 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.13 -24.15 10.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.327 . . . . 74.24 110.927 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.534 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -118.98 19.51 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 61.5 110.855 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 35' ' ' MET . 2.1 t -160.64 -39.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 73.34 111.106 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.19 104.4 0.34 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 50.23 112.461 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.14 19.87 63.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 51.41 112.466 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.16 -70.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 52.41 111.114 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 40' ' ' VAL . 6.6 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 70.42 111.089 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.821 0.343 . . . . 63.41 110.855 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -11.86 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.828 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -136.07 91.81 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.868 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.64 116.48 23.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.847 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -8.66 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 65.42 110.805 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.88 -30.22 0.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.747 . . . . 75.54 112.468 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.37 -21.56 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.382 . . . . 75.35 110.892 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.45 50.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' N ' HE22 ' A' ' 15' ' ' GLN . 0.1 OUTLIER -122.3 -157.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 65.2 111.134 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -24.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.882 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -44.54 -37.39 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.845 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.517 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -156.34 118.38 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.902 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -134.12 3.43 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.899 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.4 mt -123.34 -8.32 8.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 61.41 110.906 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 15' ' ' GLN . 6.0 p -86.39 5.89 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 70.22 111.091 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.55 16.29 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 72.45 110.896 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -150.53 18.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 70.2 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.68 -29.65 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 73.33 111.133 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -84.51 57.2 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.893 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -177.67 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 73.54 110.858 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.7 t -52.0 -30.01 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 71.31 111.134 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.5 -30.98 43.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 74.42 112.51 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 72.22 110.873 -179.729 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.78 0.324 . . . . 73.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.06 -16.31 60.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 73.2 112.471 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.69 10.3 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 74.42 111.095 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.86 43.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 71.23 111.136 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -78.21 -20.26 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.53 111.095 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.4 -8.49 43.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 74.15 112.534 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.05 -24.91 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 73.35 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.534 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.1 ttm -120.94 22.35 11.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.21 110.907 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 35' ' ' MET . 2.1 t -160.42 -38.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.12 111.126 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.59 -59.2 10.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 74.35 112.487 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.07 19.62 48.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 73.44 112.522 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -120.55 -69.15 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 73.3 111.155 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.11 111.161 179.9 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.857 0.361 . . . . 61.4 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.25 23.05 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 54.14 110.834 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.8 34.14 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.43 113.18 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.911 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.25 -10.84 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.893 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.27 -34.13 0.51 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 31.01 112.482 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 14.42 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.886 0.374 . . . . 65.21 110.982 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -148.53 31.67 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.885 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.3 -157.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 51.33 111.162 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -26.49 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 64.12 110.867 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.06 -38.14 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.866 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.45 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -133.64 118.79 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.887 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -134.48 3.83 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.948 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.67 -6.81 8.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.43 110.884 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 15' ' ' GLN . 6.6 p -85.44 5.69 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 73.01 111.127 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -90.93 17.65 7.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 63.1 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -152.62 19.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.35 110.894 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.23 -28.56 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.12 111.093 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -82.19 57.85 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.906 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -174.38 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.848 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.62 -30.05 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 64.5 111.165 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -20.63 44.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 51.02 112.506 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 72.24 110.884 -179.782 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.78 0.324 . . . . 62.51 110.948 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.85 32.88 27.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.745 . . . . 64.04 112.484 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.59 -33.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 64.22 111.117 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.21 37.01 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.161 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.432 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -74.72 -23.12 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 73.44 111.177 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.02 -11.43 29.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 73.24 112.493 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 34' ' ' LEU . 8.1 tp -109.73 -24.33 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 73.14 110.916 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.521 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.0 ttp -118.69 18.45 13.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 61.11 110.885 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 35' ' ' MET . 2.1 t -160.2 -39.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 65.51 111.123 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.08 -59.68 9.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 72.33 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.24 20.3 44.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 31.4 112.492 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.9 t -119.94 -65.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 75.31 111.159 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.13 111.118 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.866 0.365 . . . . 72.32 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 23.07 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 71.01 110.854 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -106.48 30.01 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 73.43 110.888 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.81 115.65 27.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 74.05 110.884 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.1 -7.67 52.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.874 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.28 -29.35 0.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 55.41 112.523 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -93.12 -18.5 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 75.44 110.943 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -117.67 44.99 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 72.23 110.906 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.35 -157.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 63.44 111.154 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.75 -26.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 65.35 110.896 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -44.33 -37.71 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.852 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -132.98 146.36 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.926 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.9 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 62.4 110.931 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.43 -25.2 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 70.21 110.907 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.8 -10.14 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 63.24 111.136 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -83.65 49.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.912 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -179.99 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.853 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -22.78 65.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 63.33 111.121 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -90.85 55.64 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -174.21 32.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 71.3 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.11 -32.64 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 70.35 111.145 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.69 18.65 52.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 74.11 112.507 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 71.42 110.88 -179.771 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.817 0.341 . . . . 63.2 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.75 33.34 27.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 70.13 112.468 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.07 -33.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 51.22 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.827 HG23 HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -118.29 38.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.111 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.49 ' CD1' HG11 ' A' ' 36' ' ' VAL . 5.3 tp -76.48 -21.88 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 72.24 111.095 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.06 -10.97 30.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 72.31 112.513 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.827 HD12 HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -111.76 -24.12 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 62.2 110.907 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.548 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 ttm -118.68 20.66 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.52 110.922 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.552 HG22 ' CG1' ' A' ' 40' ' ' VAL . 2.0 t -160.96 -39.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 63.05 111.116 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.52 107.03 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 72.34 112.482 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.41 24.2 61.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 65.32 112.49 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.3 t -127.75 -55.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.372 . . . . 50.54 111.135 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.552 ' CG1' HG22 ' A' ' 36' ' ' VAL . 6.9 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.13 111.119 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.862 0.363 . . . . 72.03 110.838 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.76 -40.26 5.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 63.15 111.125 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.85 -51.55 69.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 71.51 110.871 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.37 -33.16 63.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.927 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.26 23.35 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 65.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -105.02 28.38 7.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 72.51 110.846 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.11 114.91 26.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 71.43 110.823 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.35 -20.84 62.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 64.21 110.84 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.8 -34.05 1.1 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 65.34 112.521 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.32 -22.45 38.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 72.24 110.919 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -114.32 65.1 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.888 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.35 -157.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.44 111.105 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.84 -26.53 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 64.13 110.842 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.76 -34.13 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.835 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -111.8 97.08 6.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 71.21 110.937 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.7 4.41 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.927 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.37 -35.83 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 60.11 110.884 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.81 -11.85 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 74.23 111.128 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -81.73 52.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.53 110.902 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.83 -33.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 74.33 110.898 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.45 65.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 51.11 111.069 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.66 57.24 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.879 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -176.98 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 72.43 110.878 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -55.84 -26.12 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.14 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.72 -20.42 61.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 71.41 112.491 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -89.29 52.96 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 72.32 110.827 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -53.93 -43.92 70.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 72.32 110.873 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.23 127.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 74.31 110.883 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.45 64.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 22.13 112.49 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.55 12.81 4.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.794 0.331 . . . . 51.53 111.1 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.51 35.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 74.32 111.155 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.32 -21.74 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 54.14 111.122 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.58 -13.56 25.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 52.11 112.503 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.97 -25.56 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 71.14 110.938 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.553 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.4 ttm -118.35 20.13 13.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.43 110.898 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.42 -39.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 72.34 111.124 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.85 92.48 0.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 55.13 112.523 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.34 25.76 25.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 34.42 112.462 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.0 t -134.74 -65.81 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.913 0.387 . . . . 74.1 111.155 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.7 t -84.36 140.75 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 74.43 111.147 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mp -136.91 -59.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.158 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 63.41 111.111 179.791 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.81 0.338 . . . . 71.11 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.23 24.27 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 72.24 111.11 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -84.38 -54.83 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 72.54 110.818 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -56.6 -31.23 64.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.916 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -93.83 18.91 9.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.891 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.11 26.93 9.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.844 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -89.65 112.97 24.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.873 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.7 p -71.61 -9.6 58.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.853 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.09 -24.18 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.758 . . . . 43.42 112.433 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.11 -23.51 16.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 72.43 110.878 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.36 40.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 75.1 110.847 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -109.94 -158.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 72.03 111.152 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -26.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 74.44 110.802 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -44.16 -37.62 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 65.51 110.861 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -135.74 146.33 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 75.11 110.918 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt 176.97 -28.69 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.916 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -102.4 -25.41 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 70.2 110.895 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.94 -10.11 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.105 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -83.77 49.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.909 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' O ' HG23 ' A' ' 24' ' ' VAL . 27.2 t80 179.94 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 50.25 110.87 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.26 -22.28 65.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 65.25 111.069 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -91.11 56.28 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 61.51 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -177.46 -36.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 62.41 110.88 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 20' ' ' PHE . 58.4 t -54.12 -28.48 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 71.33 111.153 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.17 -24.5 51.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 74.31 112.452 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.4 m -85.35 54.52 3.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.358 . . . . 42.0 110.856 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -52.1 -44.1 64.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.859 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.22 127.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 70.14 110.921 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.74 -14.43 64.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 51.43 112.487 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.48 12.7 4.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.763 0.316 . . . . 51.33 111.121 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.48 35.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 53.4 111.142 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.47 -21.8 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 53.1 111.107 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 -13.24 26.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.707 -0.758 . . . . 74.42 112.493 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.37 -25.53 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.342 . . . . 70.34 110.923 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.542 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -118.29 20.12 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.89 179.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.33 -39.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 70.51 111.135 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -55.89 105.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 70.43 112.5 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.3 25.57 61.21 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.732 -0.747 . . . . 62.32 112.474 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.616 HG12 HG23 ' A' ' 40' ' ' VAL . 59.0 t -132.99 -69.4 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 75.12 111.139 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.616 HG23 HG12 ' A' ' 39' ' ' VAL . 48.7 t -119.92 94.1 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 61.42 111.134 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.492 ' H ' HD12 ' A' ' 41' ' ' ILE . 4.6 mp -84.07 -68.45 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 64.23 111.19 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 74.32 111.06 179.785 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.795 0.331 . . . . 71.55 110.833 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.15 -28.82 6.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.41 111.097 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.33 -55.51 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 72.24 110.892 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.79 -29.32 62.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.929 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.22 19.87 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.873 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.78 31.69 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 70.44 110.841 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.6 116.27 28.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 62.12 110.893 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.78 -8.75 56.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 62.32 110.838 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.95 -30.67 0.92 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 73.43 112.485 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -90.0 -21.14 22.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 74.02 110.922 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -115.72 50.5 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 73.04 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.432 ' N ' HE22 ' A' ' 15' ' ' GLN . 0.1 OUTLIER -122.99 -157.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 52.44 111.127 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.73 -24.77 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.837 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -44.11 -37.98 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 72.53 110.859 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.57 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -154.63 117.91 4.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.42 110.931 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' C ' HD22 ' A' ' 17' ' ' LEU . 75.1 tttt -133.43 1.79 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.42 110.885 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD22 ' C ' ' A' ' 16' ' ' LYS . 4.4 mm? -121.34 -15.07 8.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 62.35 110.94 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 15' ' ' GLN . 4.7 p -84.05 2.99 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 71.12 111.158 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -90.55 17.45 7.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.51 110.871 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.31 19.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 71.04 110.875 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.04 -29.96 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.33 111.07 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -81.62 57.41 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.86 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -174.21 32.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.875 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.5 t -117.13 -26.25 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.01 111.138 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -55.3 -37.32 64.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 75.3 112.497 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.6 m -92.71 50.95 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.865 0.364 . . . . 75.01 110.8 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -63.63 -45.28 90.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 65.13 110.828 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.25 128.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 61.21 110.887 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 -14.55 64.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 42.35 112.454 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.52 13.66 4.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.796 0.331 . . . . 74.24 111.108 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.405 HD12 ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -140.52 34.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 70.33 111.127 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.44 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.6 tp -70.35 -20.81 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 45.02 111.154 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.68 -17.93 12.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 64.24 112.548 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.3 -21.96 15.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 62.45 110.947 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.557 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.5 ttm -121.79 20.69 10.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.85 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 35' ' ' MET . 1.3 t -163.65 -50.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 72.32 111.157 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 36' ' ' VAL . . . 46.48 78.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.739 -0.743 . . . . 62.34 112.513 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 50.1 64.06 3.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 74.24 112.457 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.751 HG12 HG23 ' A' ' 40' ' ' VAL . 48.8 t -146.35 -75.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 52.4 111.17 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG23 HG12 ' A' ' 39' ' ' VAL . 94.9 t -102.53 88.88 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 65.41 111.122 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 40.3 mm -82.0 85.38 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 45.04 111.168 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.01 111.099 179.803 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.803 0.335 . . . . 63.22 110.858 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.36 29.9 7.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 75.23 111.117 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -89.02 -54.31 4.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 75.1 110.937 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.56 -48.49 69.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.87 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -21.22 59.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 73.4 110.833 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -70.17 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.878 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.439 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 6.8 t70 71.63 -70.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 65.11 110.842 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -72.94 78.36 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 45.52 110.902 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.42 -31.39 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 70.31 112.516 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -102.15 -22.17 14.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 74.53 110.933 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 7' ' ' ASP . 2.6 tt0 -95.35 12.44 29.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.88 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -99.74 -154.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 61.54 111.133 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.48 -25.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.875 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -42.3 -37.66 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 61.23 110.867 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -136.3 146.19 46.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 61.22 110.923 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt 176.94 -28.77 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 65.21 110.895 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.41 -21.43 9.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.894 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 18' ' ' VAL . 9.6 p -86.31 5.8 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 74.53 111.138 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -90.87 17.53 7.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 60.11 110.866 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -152.67 19.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 65.01 110.876 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.69 -29.78 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 74.2 111.091 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 57.96 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.869 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -176.45 -38.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 74.5 110.894 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -52.97 -29.3 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.22 111.111 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.15 -23.83 41.53 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 55.4 112.463 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.3 m -89.87 53.93 2.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 52.15 110.837 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -54.24 -68.58 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.32 110.883 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.22 127.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 53.13 110.884 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.79 -14.4 61.73 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 72.32 112.495 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.61 14.45 4.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.735 0.302 . . . . 72.31 111.112 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -141.24 36.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.13 111.099 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.29 -21.63 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 74.32 111.136 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.61 -13.57 25.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 61.44 112.508 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.87 -25.47 12.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 70.23 110.916 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.555 ' O ' HG23 ' A' ' 36' ' ' VAL . 2.7 ttm -118.38 20.16 13.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.917 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.53 -39.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.04 111.145 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.21 101.49 0.23 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 53.32 112.465 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.12 22.04 55.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 64.41 112.518 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 82.3 t -132.03 -51.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 74.01 111.169 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.89 128.63 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.0 111.132 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 mp -133.59 -51.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.52 111.173 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 61.41 111.129 179.809 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t70 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.81 0.338 . . . . 71.45 110.86 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.56 -30.99 24.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 23.32 111.076 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.89 -52.46 49.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 74.52 110.919 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -55.51 -33.55 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.849 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.89 22.38 6.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.868 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -103.27 28.23 6.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.04 110.812 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -97.9 113.36 25.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 63.3 110.868 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -70.67 -6.94 40.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.2 110.873 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.19 -20.49 4.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 75.31 112.513 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -100.07 -22.86 15.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 64.21 110.908 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -89.57 10.53 22.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 64.03 110.949 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.02 -154.28 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 74.31 111.149 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -23.71 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.01 110.858 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -41.14 -37.81 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 72.1 110.859 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HB2' HG12 ' A' ' 18' ' ' VAL . 1.5 pp0? -145.6 125.64 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.873 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -132.69 2.07 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 72.51 110.9 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.5 -27.51 5.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.963 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.413 HG12 ' HB2' ' A' ' 15' ' ' GLN . 5.7 p -56.71 -23.25 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 73.04 111.133 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -77.67 54.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.894 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.442 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.2 OUTLIER 176.89 -32.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 54.02 110.845 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.08 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 65.31 111.078 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.62 56.88 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.922 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -177.73 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 71.52 110.885 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 20' ' ' PHE . 61.0 t -52.33 -30.78 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 71.13 111.099 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -25.63 53.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 73.21 112.512 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t -88.89 59.22 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 61.32 110.843 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -54.4 -44.21 72.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 64.41 110.883 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? 67.21 127.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.832 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.75 -14.45 64.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 74.33 112.479 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.58 12.95 4.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.761 0.315 . . . . 73.54 111.143 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -139.66 35.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.43 111.117 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.473 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -72.34 -21.8 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.24 111.161 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.54 -13.42 26.2 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 72.04 112.472 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.07 -25.59 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 62.34 110.918 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.557 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.7 OUTLIER -118.29 20.1 13.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.5 110.894 179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 35' ' ' MET . 1.6 t -162.43 -39.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 74.21 111.168 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.14 101.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.693 -0.765 . . . . 61.41 112.494 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.77 -23.06 32.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 71.42 112.502 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.2 t -85.3 -27.92 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 70.02 111.102 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -81.4 150.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 62.25 111.093 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mp -140.08 113.91 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.099 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 63.23 111.112 179.803 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.817 0.341 . . . . 64.3 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.26 -37.46 52.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.24 111.141 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.34 -51.76 66.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 63.23 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -55.55 -32.66 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 72.24 110.901 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.19 23.1 6.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 65.34 110.862 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -105.01 28.66 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.811 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.01 114.92 26.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 72.31 110.899 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.26 -20.91 63.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 30.05 110.849 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.77 -34.06 1.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.696 -0.764 . . . . 62.21 112.49 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -22.51 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 64.44 110.932 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.33 65.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 65.2 110.887 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.45 -157.41 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 73.41 111.153 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.77 -26.6 0.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 62.13 110.836 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -43.83 -34.05 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 72.54 110.839 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -112.66 95.92 5.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 73.2 110.906 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -128.95 -0.82 5.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 51.03 110.902 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -119.32 -26.91 5.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 65.24 110.911 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 18' ' ' VAL . 9.6 p -83.89 2.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.112 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -90.31 17.46 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 71.25 110.926 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -152.31 19.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 62.32 110.871 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.28 -30.73 4.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 71.4 111.089 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.46 58.14 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 75.32 110.9 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -176.57 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 75.43 110.863 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -76.83 -65.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 62.33 111.144 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.56 -24.57 39.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 61.51 112.478 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -115.65 77.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 73.3 110.853 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.22 36.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 63.02 110.89 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.22 -158.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 74.12 110.908 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.72 33.18 34.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 63.22 112.465 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.78 -33.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 71.45 111.113 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.42 38.14 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.14 111.152 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.453 ' CD1' HG11 ' A' ' 36' ' ' VAL . 5.1 tp -75.07 -22.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 74.24 111.122 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.04 -11.92 28.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 73.21 112.502 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mt -109.57 -24.28 11.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.797 0.332 . . . . 62.31 110.916 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.524 ' O ' HG23 ' A' ' 36' ' ' VAL . 3.0 ttp -118.79 19.32 13.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 63.41 110.914 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 35' ' ' MET . 2.0 t -160.64 -39.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 71.13 111.164 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.14 -59.71 9.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 75.21 112.494 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -91.99 19.77 46.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 72.55 112.523 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.5 t -117.59 -59.63 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 44.52 111.12 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.1 p -125.16 145.13 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.13 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.39 116.06 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.134 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 72.51 111.1 179.8 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.7 t0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.809 0.338 . . . . 75.1 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.68 24.38 6.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 74.04 111.082 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -82.1 -54.58 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.862 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -56.77 -30.63 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 73.21 110.858 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -93.88 18.95 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 71.54 110.886 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.55 27.4 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.13 110.798 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -89.69 113.19 24.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 62.43 110.844 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.5 p -71.33 -9.77 58.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.15 110.832 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.91 -25.34 1.55 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 55.43 112.469 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.83 -22.89 17.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.802 0.334 . . . . 71.52 110.892 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -112.46 42.6 1.79 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 75.52 110.878 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -111.55 -158.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 53.33 111.11 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -46.81 -26.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.15 110.846 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -44.34 -37.56 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 70.04 110.846 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -136.39 146.11 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 71.23 110.923 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG2' HD22 ' A' ' 17' ' ' LEU . 19.3 tttt 177.15 -28.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.906 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.445 HD22 ' HG2' ' A' ' 16' ' ' LYS . 4.5 mm? -103.86 -20.12 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.902 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 18' ' ' VAL . 9.9 p -83.22 2.11 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.43 111.128 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -90.18 17.53 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 71.1 110.878 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -152.46 19.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 71.51 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.92 -30.37 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 40.32 111.114 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -80.23 58.32 3.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.883 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -173.46 -37.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 63.12 110.875 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.8 t -55.52 -51.52 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 62.4 111.147 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.53 -33.77 78.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 74.54 112.51 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.55 103.82 3.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 63.41 110.833 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -94.53 39.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 71.23 110.878 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -124.99 -155.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.919 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.84 32.98 27.19 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.714 -0.755 . . . . 72.2 112.549 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.54 -33.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 63.21 111.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.26 38.47 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 64.22 111.099 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' HG11 ' A' ' 36' ' ' VAL . 5.2 tp -75.17 -22.63 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 75.5 111.139 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.01 -11.58 29.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.799 -0.715 . . . . 75.15 112.473 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.13 -24.15 10.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.327 . . . . 74.24 110.927 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.534 ' O ' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -118.98 19.51 12.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 61.5 110.855 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 35' ' ' MET . 2.1 t -160.64 -39.42 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 73.34 111.106 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.19 104.4 0.34 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 50.23 112.461 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.14 19.87 63.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 51.41 112.466 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.16 -70.18 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 52.41 111.114 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 40' ' ' VAL . 6.6 p -106.54 23.64 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 70.42 111.089 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 pt -147.62 -171.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 60.45 111.072 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 52.41 111.118 179.818 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.783 0.325 . . . . 74.1 110.834 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.39 -39.56 79.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 63.51 111.069 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -55.63 -42.25 74.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.869 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.3 -50.72 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 63.41 110.855 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -11.86 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 74.32 110.828 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -136.07 91.81 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.04 110.868 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.64 116.48 23.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.847 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -8.66 55.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 65.42 110.805 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.88 -30.22 0.97 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.747 . . . . 75.54 112.468 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.37 -21.56 21.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.382 . . . . 75.35 110.892 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.45 50.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' N ' HE22 ' A' ' 15' ' ' GLN . 0.1 OUTLIER -122.3 -157.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 65.2 111.134 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -24.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.882 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -44.54 -37.39 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.845 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.517 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -156.34 118.38 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.902 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -134.12 3.43 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.899 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.4 mt -123.34 -8.32 8.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 61.41 110.906 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.517 HG12 ' HB2' ' A' ' 15' ' ' GLN . 6.0 p -86.39 5.89 3.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 70.22 111.091 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -90.55 16.29 9.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 72.45 110.896 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -150.53 18.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 70.2 110.847 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.68 -29.65 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 73.33 111.133 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -84.51 57.2 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.893 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -177.67 -36.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 73.54 110.858 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 57.7 t -52.0 -30.01 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 71.31 111.134 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.5 -30.98 43.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 74.42 112.51 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.2 p -115.68 85.85 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 72.22 110.873 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.534 ' OD1' ' HB3' ' A' ' 30' ' ' ALA . 7.1 t-20 -52.26 -68.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 55.34 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.3 129.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 73.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.06 -16.31 60.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 73.2 112.471 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.534 ' HB3' ' OD1' ' A' ' 27' ' ' ASN . . . -130.69 10.3 5.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 74.42 111.095 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -138.86 43.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 71.23 111.136 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -78.21 -20.26 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.53 111.095 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.4 -8.49 43.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 74.15 112.534 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mt -117.05 -24.91 7.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 73.35 110.913 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.534 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.1 ttm -120.94 22.35 11.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 72.21 110.907 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 35' ' ' MET . 2.1 t -160.42 -38.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.12 111.126 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.59 -59.2 10.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 74.35 112.487 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.07 19.62 48.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 73.44 112.522 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -120.55 -69.15 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 73.3 111.155 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -92.6 129.94 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 74.11 111.161 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.9 mm -120.59 95.39 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 42.35 111.167 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 63.0 111.074 179.827 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.847 0.356 . . . . 63.14 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.27 24.45 5.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.54 111.068 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -58.63 2.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.899 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -56.46 -27.2 56.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 61.4 110.892 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.25 23.05 6.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 54.14 110.834 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.8 34.14 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.43 113.18 25.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.911 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.25 -10.84 59.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.893 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.27 -34.13 0.51 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 31.01 112.482 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.94 14.42 19.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.886 0.374 . . . . 65.21 110.982 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -148.53 31.67 0.81 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.885 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.3 -157.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 51.33 111.162 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -26.49 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 64.12 110.867 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.06 -38.14 2.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.866 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.45 ' HB2' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -133.64 118.79 18.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.887 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -134.48 3.83 3.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.948 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.67 -6.81 8.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.43 110.884 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.45 HG12 ' HB2' ' A' ' 15' ' ' GLN . 6.6 p -85.44 5.69 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 73.01 111.127 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -90.93 17.65 7.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 63.1 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -152.62 19.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.35 110.894 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.23 -28.56 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.12 111.093 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -82.19 57.85 3.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 73.33 110.906 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -174.38 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.848 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.1 t -54.62 -30.05 21.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 64.5 111.165 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -20.63 44.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 51.02 112.506 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -113.42 78.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 72.24 110.884 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -94.26 40.58 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.491 . . . . 71.12 110.889 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -124.76 -155.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 62.51 110.948 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.85 32.88 27.06 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.745 . . . . 64.04 112.484 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.59 -33.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 64.22 111.117 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.613 HD12 ' HE1' ' A' ' 35' ' ' MET . 0.0 OUTLIER -120.21 37.01 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.161 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.432 ' CD1' HG11 ' A' ' 36' ' ' VAL . 4.9 tp -74.72 -23.12 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 73.44 111.177 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.02 -11.43 29.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 73.24 112.493 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.478 ' O ' HD12 ' A' ' 34' ' ' LEU . 8.1 tp -109.73 -24.33 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.806 0.336 . . . . 73.14 110.916 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.613 ' HE1' HD12 ' A' ' 31' ' ' ILE . 3.0 ttp -118.69 18.45 13.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 61.11 110.885 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 35' ' ' MET . 2.1 t -160.2 -39.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 65.51 111.123 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.08 -59.68 9.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.698 -0.763 . . . . 72.33 112.511 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.24 20.3 44.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.708 -0.758 . . . . 31.4 112.492 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.9 t -119.94 -65.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 75.31 111.159 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 p -127.19 123.93 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 75.13 111.118 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.17 44.88 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 65.55 111.18 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 40.32 111.056 179.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.84 0.353 . . . . 73.23 110.857 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.14 -40.07 18.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 70.04 111.06 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -51.73 66.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 63.21 110.862 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -55.69 -32.11 62.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.892 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 23.07 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 71.01 110.854 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -106.48 30.01 6.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 73.43 110.888 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.81 115.65 27.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 74.05 110.884 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.1 -7.67 52.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 72.12 110.874 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -126.28 -29.35 0.93 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 55.41 112.523 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -93.12 -18.5 22.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.866 0.365 . . . . 75.44 110.943 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -117.67 44.99 2.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 72.23 110.906 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.35 -157.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 63.44 111.154 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.75 -26.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 65.35 110.896 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -44.33 -37.71 3.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.31 110.852 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -132.98 146.36 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.926 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.9 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 62.4 110.931 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.43 -25.2 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 70.21 110.907 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.8 p -70.8 -10.14 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 63.24 111.136 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -83.65 49.15 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.912 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -179.99 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.853 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.33 -22.78 65.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 63.33 111.121 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -90.85 55.64 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -174.21 32.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 71.3 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.2 t -114.11 -32.64 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 70.35 111.145 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.69 18.65 52.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 74.11 112.507 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 t -56.85 -25.29 56.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 71.42 110.88 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.424 ' HB2' ' HE1' ' A' ' 35' ' ' MET . 86.0 m-20 58.8 68.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 62.34 110.884 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.06 -159.73 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.2 110.902 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.75 33.34 27.07 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 70.13 112.468 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.07 -33.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 51.22 111.107 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.827 HG23 HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -118.29 38.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 63.24 111.111 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.49 ' CD1' HG11 ' A' ' 36' ' ' VAL . 5.3 tp -76.48 -21.88 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 72.24 111.095 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.06 -10.97 30.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 72.31 112.513 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.827 HD12 HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -111.76 -24.12 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 62.2 110.907 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.548 ' O ' HG23 ' A' ' 36' ' ' VAL . 1.6 ttm -118.68 20.66 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.52 110.922 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.552 HG22 ' CG1' ' A' ' 40' ' ' VAL . 2.0 t -160.96 -39.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 63.05 111.116 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.52 107.03 0.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 72.34 112.482 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.41 24.2 61.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 65.32 112.49 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.3 t -127.75 -55.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.372 . . . . 50.54 111.135 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.552 ' CG1' HG22 ' A' ' 36' ' ' VAL . 6.9 p -125.37 -38.05 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 74.13 111.119 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.534 HD12 ' C ' ' A' ' 40' ' ' VAL . 1.9 mp 70.88 -70.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.33 111.117 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 53.11 111.076 179.811 . . . . . . . . 0 0 . 1 stop_ save_