data_1v65_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1v65 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -55.83 -48.47 75.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -63.12 -50.87 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -59.87 -36.57 77.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 67.3 t-105 -50.59 -27.2 6.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.247 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.33 -21.13 31.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.258 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -97.05 20.12 11.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.348 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.7 mt -105.47 -178.77 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.998 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.18 -175.28 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -70.19 -30.74 67.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 m -72.51 -46.48 54.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -66.55 -44.17 83.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.749 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 23.1 mttt -59.26 -29.58 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.003 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -90.25 -30.79 17.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.55 -38.57 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -71.17 -26.42 62.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.759 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.14 -28.7 22.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.768 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.979 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.57 -42.32 87.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.08 -51.7 55.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.64 -30.81 70.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.415 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 67.9 t-105 -57.17 -29.96 64.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.56 -26.04 26.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.78 20.02 9.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.211 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.1 mt -94.51 -177.44 4.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.33 165.28 11.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -59.16 -29.92 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -79.56 -36.27 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -66.8 -46.27 75.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 23.6 mttt -59.32 -29.83 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -31.14 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.9 -47.34 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -65.65 -29.18 69.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.762 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.05 -30.08 28.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.991 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -58.16 -33.63 69.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -75.9 -51.32 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -60.49 -30.47 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.428 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 70.5 t-105 -57.3 -28.02 62.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -80.8 -28.89 36.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -95.74 20.06 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.1 mt -91.46 175.74 6.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -106.05 170.61 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -60.84 -32.52 71.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.59 -36.37 63.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.65 -44.0 75.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 9.2 mttt -60.15 -30.55 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -85.72 -39.68 16.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.26 -37.95 86.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -72.59 -24.25 61.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -86.56 -28.31 23.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.6 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.73 0.3 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -61.74 -35.89 79.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.44 -43.11 64.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.72 -37.28 67.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.44 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 68.6 t-105 -53.68 -27.26 26.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.3 -24.67 32.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -95.23 20.02 9.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.344 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.4 mt -102.86 166.79 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.986 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.16 -178.11 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 m -67.84 -33.65 75.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.4 m -67.26 -43.01 82.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -68.51 -47.27 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 20.6 mttt -57.41 -28.83 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.27 -34.79 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.11 -45.49 77.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.421 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -64.52 -28.47 69.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.765 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.26 -29.81 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.44 -40.71 87.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.11 -61.37 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.0 -30.55 69.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 65.1 t-105 -55.87 -28.68 57.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.61 -24.88 38.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.84 20.09 18.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.212 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.1 mt -94.45 163.53 13.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.889 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.96 171.67 8.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -31.11 71.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -73.67 -33.39 64.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -75.66 -36.26 60.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 37.8 mttt -67.85 -27.56 66.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -88.89 -38.25 14.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.32 -40.65 90.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -70.17 -27.05 64.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.769 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -81.24 -29.63 34.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.72 -42.53 90.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.61 -52.61 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -59.2 -36.97 76.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.441 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.4 t-105 -50.1 -27.11 5.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.32 -20.86 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -95.39 20.05 9.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.427 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -107.32 -179.95 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -107.83 -176.35 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -68.75 -34.95 76.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -45.39 83.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.04 -44.17 80.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 22.0 mttt -59.88 -30.01 68.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -86.53 -33.18 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.33 -46.93 65.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.001 0.429 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -64.86 -29.97 70.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.732 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.26 -31.14 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.841 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.39 -43.48 92.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.54 -49.14 70.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -67.49 -35.23 78.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.432 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.0 t-105 -56.82 -28.19 61.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -25.8 35.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 mt -95.03 20.02 9.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.225 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 mt -99.81 166.61 11.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -101.12 -178.28 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.1 t -67.0 -31.48 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.4 p -68.68 -40.86 79.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -74.62 -46.37 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 42.1 mttt -59.3 -26.63 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.05 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -89.84 -31.56 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 mt -73.39 -40.72 64.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -66.9 -25.16 66.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.57 -30.38 27.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.998 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.83 -45.68 91.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.74 -51.36 68.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.43 -32.95 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.419 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 63.9 t-105 -55.68 -29.28 59.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -25.28 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.071 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mt -95.48 19.98 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.238 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 19.9 mt -103.22 172.43 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.87 172.99 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.1 t -58.84 -28.8 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -41.65 72.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -77.43 -31.92 54.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 40.5 mttt -67.54 -38.02 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -82.83 -33.52 27.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.121 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.8 -42.93 80.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.46 -27.03 67.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -82.15 -28.14 32.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.019 -179.84 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.22 -48.09 81.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.89 -51.78 66.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.37 -33.44 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.429 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 62.5 t-105 -54.86 -29.29 55.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -85.78 -20.79 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.57 20.08 8.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.313 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 mt -114.95 163.38 15.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -91.38 173.22 8.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 t -59.83 -41.14 90.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -60.88 -29.97 69.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -43.71 19.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.824 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -56.86 -40.27 75.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.048 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -33.78 49.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.38 -42.52 98.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -72.58 -22.66 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.842 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -87.07 -27.36 23.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.024 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.778 0.323 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.78 -39.67 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.11 -57.12 12.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -64.69 -35.14 80.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.432 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 64.7 t-105 -52.03 -27.77 14.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.28 -26.73 30.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.94 20.04 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.213 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.6 mt -96.62 177.76 5.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -107.42 -179.62 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 t -66.93 -31.07 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -40.24 45.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -67.35 -46.27 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 22.5 mttt -61.43 -27.09 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -89.56 -37.01 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.016 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.85 -39.84 95.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.98 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -65.34 -28.32 69.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.9 -28.7 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.339 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.68 -45.24 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.05 -48.05 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -60.28 -31.2 70.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.417 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 66.8 t-105 -56.75 -27.95 60.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -24.2 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.7 20.03 9.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.295 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.6 mt -103.89 -178.83 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.12 -179.95 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -67.02 -30.61 70.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 m -73.51 -38.4 65.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -75.3 -37.87 60.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 31.8 mttt -66.42 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -33.55 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.91 -41.29 87.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -68.46 -26.89 65.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.719 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.71 -31.49 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.952 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.2 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.817 0.341 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.81 -47.1 86.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.28 -47.89 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.38 -30.95 69.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.435 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.1 t-105 -60.57 -31.73 70.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.15 -26.59 42.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mt -94.79 19.97 9.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.257 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.5 mt -98.52 -177.11 3.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.57 -177.33 3.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -69.42 -17.94 63.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.263 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -35.02 27.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -83.38 -41.97 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 3.4 tttt -59.34 -30.46 68.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.24 -31.18 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.993 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.55 -42.32 78.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -68.34 -25.14 64.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.93 -30.88 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.84 -33.67 67.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.05 -51.53 13.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -61.54 -30.29 70.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.434 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.6 t-105 -58.04 -28.87 64.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.66 -26.68 31.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.64 20.09 9.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.227 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.3 mt -99.88 159.95 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -82.59 178.82 8.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.95 -30.91 67.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.67 -32.65 62.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -72.69 -46.02 55.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 15.8 mttt -60.14 -29.84 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -29.34 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -73.06 -38.23 66.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -70.09 -23.34 63.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.58 -28.7 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -43.94 97.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.7 -44.69 85.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.1 -30.87 71.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.432 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 62.5 t-105 -59.71 -30.22 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -26.74 43.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.37 20.07 9.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.199 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.2 mt -101.77 155.09 18.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.22 175.15 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -36.09 79.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -68.5 -31.37 70.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -79.86 -41.41 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 42.1 mttt -62.89 -29.23 70.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -40.35 16.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.84 -38.79 92.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -72.92 -25.59 61.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.906 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.01 -29.36 32.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.46 -43.24 99.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -35.67 79.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.23 -30.3 54.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.419 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 62.6 t-105 -59.15 -29.99 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -27.65 41.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.67 20.07 10.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 mt -98.74 174.48 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.41 -172.6 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -73.12 -21.08 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -33.4 39.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -84.98 -31.51 23.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 49.8 mttt -71.84 -29.31 64.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -38.24 15.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.04 -41.79 77.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -68.53 -25.57 65.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -80.58 -28.54 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.844 0.354 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -40.92 93.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.73 -46.21 76.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.02 -30.65 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 63.9 t-105 -55.88 -29.52 60.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.98 -27.68 39.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.34 19.97 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.204 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.413 HD12 ' CE3' ' A' ' 22' ' ' TRP . 23.0 mt -95.45 168.15 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -102.46 -177.88 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.56 -30.88 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.5 p -73.24 -39.41 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -70.53 -47.64 59.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 3.7 mttt -58.84 -29.16 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.36 -29.9 19.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mt -74.07 -39.54 63.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -70.3 -27.58 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.754 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.05 -30.64 55.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.1 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.785 0.326 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.89 -37.83 80.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -47.59 60.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -66.45 -30.23 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 67.2 t-105 -57.77 -30.11 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.44 -27.29 34.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.31 19.99 9.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.1 mt -95.45 -179.49 4.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.13 174.15 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.1 m -63.12 -31.83 73.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.9 -31.57 51.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -75.43 -40.28 57.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 38.7 mttt -66.1 -29.35 69.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.76 -33.52 19.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 mt -66.91 -41.58 86.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -68.9 -25.87 64.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.03 -29.96 24.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.851 0.357 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -38.95 87.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.797 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.93 -49.88 59.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -65.72 -29.22 69.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.027 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 30' ' ' LYS . 63.5 t-105 -57.78 -29.03 64.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -26.82 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -95.16 20.11 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.201 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.6 mt -96.77 170.78 8.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -111.24 -176.45 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 m -66.76 -16.12 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 m -89.47 -38.13 14.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -77.26 -31.27 54.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 51.8 mttt -74.73 -29.53 61.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -40.79 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.14 -40.3 95.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -65.61 -26.83 68.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.89 -30.74 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -43.74 97.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.25 -52.98 34.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -29.89 68.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.429 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.6 t-105 -56.89 -29.55 63.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.42 -23.63 34.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.51 20.02 8.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.226 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.0 mt -104.4 179.88 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -111.96 -179.27 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 m -66.16 -30.98 71.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -42.26 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -70.35 -39.51 74.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 44.3 mttt -66.26 -29.33 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -86.37 -35.76 19.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.19 -35.83 80.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -72.83 -23.69 60.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -84.55 -30.4 25.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.15 83.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.38 -55.19 37.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.36 -32.28 71.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.436 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.6 t-105 -56.03 -30.87 62.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -80.33 -24.59 39.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -97.9 20.0 12.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.274 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.3 mt -94.84 -179.74 4.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.862 0.363 . . . . 0.0 110.819 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -112.32 179.12 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.1 m -65.69 -31.05 71.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -73.29 -39.43 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -72.53 -45.51 58.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 20.3 mttt -60.08 -28.46 67.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -86.96 -46.23 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.38 -37.96 82.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -70.44 -27.0 63.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.809 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.85 -29.89 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 -179.877 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.59 -55.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -116.9 -67.46 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.76 -107.45 0.94 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -176.48 127.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.76 31.88 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.3 -80.9 0.33 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.397 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.0 t 62.23 44.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.97 0.414 . . . . 0.0 111.015 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 p -88.89 83.69 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -33.5 74.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.14 41.25 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.0 31.21 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 m -135.94 54.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -98.51 31.1 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.37 30.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.73 69.29 9.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.417 ' CD1' HD21 ' A' ' 25' ' ' LEU . 30.6 m-85 -83.41 123.78 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.8 p -81.67 -176.97 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -55.83 -48.47 75.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -63.12 -50.87 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -59.87 -36.57 77.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 67.3 t-105 -50.59 -27.2 6.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.247 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.33 -21.13 31.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.258 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -97.05 20.12 11.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.348 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 HD21 ' CD1' ' A' ' 17' ' ' PHE . 95.7 mt -105.47 -178.77 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.998 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.18 -175.28 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -70.19 -30.74 67.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.4 m -72.51 -46.48 54.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -66.55 -44.17 83.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.749 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 23.1 mttt -59.26 -29.58 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.003 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -90.25 -30.79 17.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.55 -38.57 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -71.17 -26.42 62.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.759 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.14 -28.7 22.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.768 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.8 -32.52 69.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.979 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.8 m -85.51 -31.29 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mtp -70.44 -55.66 8.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.34 -30.39 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.9 -40.89 65.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 m -114.61 70.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -178.53 -50.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -98.32 -25.53 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.22 45.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.006 0.431 . . . . 0.0 110.782 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.4 mt -122.54 69.63 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 m -108.6 7.15 26.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.39 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -105.74 42.78 1.2 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.89 -32.47 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.41 -159.05 14.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.26 -176.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -159.21 101.35 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -131.34 22.4 4.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -82.39 85.63 6.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -135.18 109.48 8.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -106.74 156.55 18.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -135.98 131.63 35.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.0 mt -108.98 125.45 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -34.29 43.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 60.34 107.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -154.28 111.19 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.97 86.09 0.41 Allowed Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.22 161.27 2.7 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.63 2.22 . . . . 0.0 112.298 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.75 31.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.6 p -78.13 163.97 25.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.465 -1.186 . . . . 0.0 112.547 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 p -163.17 122.25 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.321 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -165.0 -178.53 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.3 -131.05 10.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -124.53 31.8 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.72 154.92 40.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.66 125.71 1.92 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.2 m -66.46 87.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.2 m -68.61 80.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.56 33.93 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 t0 60.17 73.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.19 30.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 m -148.31 72.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -108.06 31.58 5.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.3 mmm -136.7 31.29 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -97.81 41.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.422 ' CG ' HD12 ' A' ' 25' ' ' LEU . 32.4 m-85 -61.33 117.17 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -71.21 -177.0 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.57 -42.32 87.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.08 -51.7 55.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.64 -30.81 70.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.415 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 67.9 t-105 -57.17 -29.96 64.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.56 -26.04 26.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.78 20.02 9.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.211 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.422 HD12 ' CG ' ' A' ' 17' ' ' PHE . 12.1 mt -94.51 -177.44 4.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.33 165.28 11.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -59.16 -29.92 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -79.56 -36.27 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -66.8 -46.27 75.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.415 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 23.6 mttt -59.32 -29.83 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -31.14 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.9 -47.34 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -65.65 -29.18 69.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.762 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.05 -30.08 28.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.23 -30.79 66.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.69 -30.87 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mtp -68.02 -31.4 71.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.82 -47.94 42.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -31.17 72.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.09 42.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.74 -63.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -58.17 -31.97 67.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -86.06 -22.1 27.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.073 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.74 49.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 m -77.77 -8.6 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.333 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t0 64.62 74.3 0.4 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.875 0.369 . . . . 0.0 110.805 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mt -97.82 34.73 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.27 129.66 3.69 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 60.96 110.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.87 118.52 32.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -125.59 22.7 7.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -111.57 38.29 2.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -153.39 60.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -110.82 -30.3 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -67.69 74.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 pt -105.06 94.55 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.1 -57.07 14.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -141.29 -67.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 m 60.62 34.97 20.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.93 94.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.389 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.27 163.47 0.62 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.545 2.163 . . . . 0.0 112.387 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t 61.26 -178.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -143.06 154.77 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.493 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p -71.44 137.6 48.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.299 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -148.42 -47.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.98 36.63 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -121.45 -178.94 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m 60.3 177.7 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.27 90.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 m -106.24 174.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 111.067 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 m -151.7 31.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -28.99 69.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 62.86 118.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -144.98 33.51 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 m -146.87 96.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -81.24 99.78 8.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.806 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtp 60.95 37.36 18.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.61 39.44 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -59.25 107.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 p -69.27 -178.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -58.16 -33.63 69.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -75.9 -51.32 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -60.49 -30.47 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.428 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 70.5 t-105 -57.3 -28.02 62.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -80.8 -28.89 36.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -95.74 20.06 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.1 mt -91.46 175.74 6.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -106.05 170.61 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -60.84 -32.52 71.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.59 -36.37 63.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.65 -44.0 75.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.428 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 9.2 mttt -60.15 -30.55 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -85.72 -39.68 16.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.26 -37.95 86.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -72.59 -24.25 61.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -86.56 -28.31 23.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -57.47 -46.97 83.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.06 -30.31 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -29.92 71.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.33 -44.25 88.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.97 -30.93 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 m -103.97 46.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -166.56 -48.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -30.67 61.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -90.32 -37.65 13.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 mt 58.67 84.92 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -107.76 -4.57 17.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.398 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t70 62.27 26.03 15.58 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.738 0.304 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.4 mt 44.95 39.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.993 0.425 . . . . 0.0 111.468 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.09 -120.48 21.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.537 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -148.39 137.13 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.94 97.16 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -108.61 21.48 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -117.21 51.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.956 0.408 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.17 28.04 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -111.11 -178.19 3.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.775 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -111.79 84.61 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.8 tp -150.75 98.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -95.83 -30.5 13.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.28 -74.91 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.06 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -61.26 92.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.94 76.05 0.37 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.55 -173.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.597 2.198 . . . . 0.0 112.357 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.62 151.95 17.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -34.83 73.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.459 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -148.62 36.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m 60.82 94.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.61 51.83 1.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.2 30.16 19.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -164.51 107.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.23 -169.86 26.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.1 m -131.23 92.25 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.829 0.347 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.3 m -140.91 94.78 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -149.04 30.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 t70 60.31 92.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -147.13 33.96 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.6 m -142.8 89.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -139.98 38.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.7 42.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -124.19 82.18 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -92.8 117.03 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.6 p -68.79 -178.06 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -61.74 -35.89 79.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.44 -43.11 64.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.72 -37.28 67.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.44 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 68.6 t-105 -53.68 -27.26 26.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.3 -24.67 32.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 mt -95.23 20.02 9.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.344 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.4 mt -102.86 166.79 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.986 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.16 -178.11 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 m -67.84 -33.65 75.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.4 m -67.26 -43.01 82.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -68.51 -47.27 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 20.6 mttt -57.41 -28.83 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.27 -34.79 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.11 -45.49 77.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.421 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -64.52 -28.47 69.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.765 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.26 -29.81 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.3 -31.56 67.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -89.2 -30.85 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.06 -34.48 77.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.88 -31.49 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -100.94 27.8 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.0 m -151.35 31.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.11 -50.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.58 -23.12 40.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.72 5.81 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.545 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -97.9 37.03 1.45 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.844 0.354 . . . . 0.0 110.807 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.5 m -87.91 6.77 34.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.407 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.77 71.11 0.74 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.902 0.382 . . . . 0.0 110.827 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.9 mt -111.07 36.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.1 -66.86 1.99 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -112.84 126.61 55.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.25 91.38 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -128.4 23.04 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -101.8 32.26 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -91.79 98.71 11.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -99.52 94.06 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.4 36.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.0 tt -98.06 37.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 64.88 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -138.92 109.82 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -91.41 60.98 4.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.21 -133.33 2.3 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.391 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.67 132.8 37.26 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.454 2.103 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 p -134.22 141.06 46.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.0 p -78.63 173.33 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.505 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -162.13 31.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.794 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -85.3 -175.78 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.87 -140.44 4.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 p -175.98 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -136.77 -177.14 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.25 118.25 2.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.8 t 63.82 139.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.62 94.88 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.76 31.2 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.01 48.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.47 38.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.37 79.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -112.19 -19.62 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.291 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.25 55.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -118.03 82.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.418 ' CE2' HD23 ' A' ' 25' ' ' LEU . 94.9 m-85 -91.43 116.99 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p -68.37 179.23 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.44 -40.71 87.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.11 -61.37 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.0 -30.55 69.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 65.1 t-105 -55.87 -28.68 57.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.61 -24.88 38.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.84 20.09 18.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.212 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' A' ' 17' ' ' PHE . 13.1 mt -94.45 163.53 13.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.96 171.67 8.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -31.11 71.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 m -73.67 -33.39 64.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -75.66 -36.26 60.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 37.8 mttt -67.85 -27.56 66.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -88.89 -38.25 14.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mt -66.32 -40.65 90.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -70.17 -27.05 64.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.769 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -81.24 -29.63 34.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.15 -53.27 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -59.4 -30.68 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.7 mmt -70.09 -17.32 63.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt -77.09 -49.89 14.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.752 0.311 . . . . 0.0 111.005 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.11 -46.7 88.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.957 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.25 54.05 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -178.4 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -60.39 -28.07 67.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -83.64 -26.51 29.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.0 mt -69.15 -66.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.824 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 m 74.92 3.95 4.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.613 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -179.63 34.27 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.713 0.292 . . . . 0.0 111.236 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.6 mt -143.25 28.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.1 -167.43 38.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.72 167.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -165.14 90.71 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -114.58 23.21 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.74 73.75 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -87.25 120.9 29.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -65.17 -40.0 93.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.47 132.41 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.39 129.14 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -86.3 117.42 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 p -178.34 38.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -132.33 146.52 18.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.597 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.58 149.44 31.4 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.556 2.171 . . . . 0.0 112.276 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t -114.43 100.66 8.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 m 61.84 149.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.498 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.114 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.63 -178.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t 60.69 175.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.39 -28.52 8.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -163.42 112.07 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -148.54 -66.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.21 83.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.28 133.81 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.53 92.96 5.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.63 30.36 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -166.05 97.49 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.788 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -127.82 29.77 5.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 m -119.07 31.0 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.67 102.01 14.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 64.74 36.2 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.79 89.91 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.412 ' CG ' HD12 ' A' ' 25' ' ' LEU . 79.7 m-85 -97.12 127.24 42.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -176.93 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.72 -42.53 90.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.61 -52.61 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -59.2 -36.97 76.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.441 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.4 t-105 -50.1 -27.11 5.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.32 -20.86 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -95.39 20.05 9.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.427 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD12 ' CG ' ' A' ' 17' ' ' PHE . 76.1 mt -107.32 -179.95 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -107.83 -176.35 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -68.75 -34.95 76.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -45.39 83.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.04 -44.17 80.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 22.0 mttt -59.88 -30.01 68.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -86.53 -33.18 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.33 -46.93 65.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.001 0.429 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -64.86 -29.97 70.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.732 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.26 -31.14 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.841 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -42.21 93.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.1 m -78.34 -28.77 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.1 mmm -58.22 -48.22 81.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -64.84 -31.19 72.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -32.42 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -107.78 37.83 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -138.6 -46.99 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -91.96 -18.93 22.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -97.68 30.06 3.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.813 0.339 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.0 mt -87.76 56.87 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -21.45 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.285 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -127.42 14.27 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.369 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.4 mp 46.14 75.28 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 120.871 0.367 . . . . 0.0 111.434 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.47 -145.57 16.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.531 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -143.64 112.92 6.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.64 97.33 5.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -96.67 21.71 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -109.7 34.82 3.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -104.61 92.09 4.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.3 -46.84 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -125.48 138.06 53.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -59.69 117.08 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -153.9 -58.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -109.69 31.06 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.2 t -141.35 76.62 1.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.71 108.62 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.92 133.56 34.22 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.464 2.109 . . . . 0.0 112.388 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 m -122.85 -175.5 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.27 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.492 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -166.09 -178.68 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.337 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -173.77 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.91 101.21 2.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.563 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -121.93 -42.06 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 m 61.41 36.68 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.93 113.18 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.44 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -131.18 124.44 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 111.166 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.61 31.06 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -22.52 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t0 65.73 33.44 8.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -123.9 17.84 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.047 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 m -107.47 2.41 9.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.372 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 61.15 20.3 10.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.741 0.305 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.427 ' HB3' ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 48.33 88.49 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.118 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -129.17 42.9 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -75.76 136.82 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 p -92.04 -174.86 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.39 -43.48 92.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.54 -49.14 70.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -67.49 -35.23 78.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.432 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.0 t-105 -56.82 -28.19 61.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -25.8 35.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 mt -95.03 20.02 9.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.225 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 mt -99.81 166.61 11.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -101.12 -178.28 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.1 t -67.0 -31.48 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.4 p -68.68 -40.86 79.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -74.62 -46.37 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 42.1 mttt -59.3 -26.63 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.05 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -89.84 -31.56 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 mt -73.39 -40.72 64.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 15' ' ' MET . 24.3 t80 -66.9 -25.16 66.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.57 -30.38 27.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.95 -32.12 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 m -83.44 -30.34 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.275 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 29.6 mtp -60.44 -31.04 70.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.35 -31.38 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.34 -31.5 72.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -107.2 43.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -159.58 -55.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -78.63 -30.7 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -99.31 -35.72 9.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt 59.18 31.65 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.0 m -61.82 -18.93 61.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.249 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -70.1 67.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.2 mt -113.61 -33.42 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.212 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.28 -31.54 7.63 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -125.82 129.36 49.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.61 117.89 35.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -138.01 13.93 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.445 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -114.84 -27.54 7.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.904 0.383 . . . . 0.0 111.195 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -119.81 -34.95 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.048 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.6 m170 62.89 40.76 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -129.92 126.27 37.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.1 tp -70.79 124.08 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.68 -176.77 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -156.43 -179.31 8.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.6 t -110.59 53.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.89 88.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.23 -35.34 63.12 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.601 2.2 . . . . 0.0 112.292 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.3 t -71.92 129.93 39.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -133.33 31.38 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.425 -1.208 . . . . 0.0 112.482 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -148.91 77.89 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -120.77 -42.38 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.98 -140.6 3.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.31 87.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -140.11 124.78 18.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.41 166.66 20.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.413 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.18 146.64 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.4 p -67.25 90.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.77 30.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.86 69.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.733 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.56 29.26 6.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 m -98.12 31.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.361 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 96.39 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.98 31.73 6.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.751 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -112.54 62.7 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.413 ' CG ' HD13 ' A' ' 25' ' ' LEU . 46.7 m-85 -73.17 124.92 26.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.8 p -74.64 -174.85 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.83 -45.68 91.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.74 -51.36 68.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.43 -32.95 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.419 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 63.9 t-105 -55.68 -29.28 59.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -25.28 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.071 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.5 mt -95.48 19.98 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.238 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.413 HD13 ' CG ' ' A' ' 17' ' ' PHE . 19.9 mt -103.22 172.43 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.87 172.99 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.1 t -58.84 -28.8 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -41.65 72.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -77.43 -31.92 54.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 40.5 mttt -67.54 -38.02 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -82.83 -33.52 27.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.121 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.6 mt -67.8 -42.93 80.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.46 -27.03 67.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -82.15 -28.14 32.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -56.31 -32.84 65.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.019 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.2 m -79.6 -29.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.5 mtp -67.61 -34.08 76.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.7 mt -59.69 -36.54 76.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -72.11 -30.42 65.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.4 m -107.2 46.75 0.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -166.76 -44.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -99.34 29.59 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -144.29 23.56 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.9 mt -80.33 -46.69 15.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m 70.73 7.77 6.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.588 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -153.88 90.67 1.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.834 0.349 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 mt -124.56 36.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.008 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.52 160.47 25.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.97 89.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.88 113.0 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -115.9 21.29 13.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -129.3 76.83 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -147.04 68.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -84.08 -32.19 24.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.7 t60 59.68 97.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 pt -73.63 131.74 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -59.19 -30.22 68.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -91.22 50.82 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.2 t -97.71 69.97 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.37 -66.03 0.56 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.519 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.01 178.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.721 2.281 . . . . 0.0 112.301 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.5 t -177.01 -50.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.933 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 p -69.92 171.72 8.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.467 -1.185 . . . . 0.0 112.5 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -113.06 -62.7 1.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -84.14 126.24 32.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.48 -176.38 14.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t 63.67 137.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.379 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -80.45 163.84 23.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.45 -146.13 4.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 m -72.58 179.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 61.17 46.72 7.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.81 34.34 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.29 76.7 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -133.78 31.52 3.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -121.71 46.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -96.61 22.32 8.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.09 29.64 4.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -140.67 73.48 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.425 ' CD2' ' CD1' ' A' ' 25' ' ' LEU . 23.2 m-85 -92.88 127.11 38.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.9 p -79.44 -173.82 3.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.22 -48.09 81.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.89 -51.78 66.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -62.37 -33.44 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.429 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 62.5 t-105 -54.86 -29.29 55.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -85.78 -20.79 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.57 20.08 8.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.313 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' CD1' ' CD2' ' A' ' 17' ' ' PHE . 54.4 mt -114.95 163.38 15.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -91.38 173.22 8.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 t -59.83 -41.14 90.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -60.88 -29.97 69.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -43.71 19.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.824 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -56.86 -40.27 75.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.048 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -33.78 49.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.38 -42.52 98.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -72.58 -22.66 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.842 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -87.07 -27.36 23.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.43 -46.8 83.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -59.97 -37.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.3 mmm -63.92 -31.45 72.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.9 -35.48 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -98.12 26.68 5.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.979 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -163.02 33.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -157.42 -45.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -90.26 -31.34 17.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -89.64 -5.52 57.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.357 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.0 mt -57.71 -55.99 27.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.74 0.305 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.4 m 71.76 7.68 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.519 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -160.43 88.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.5 mt -113.69 37.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.31 -164.16 11.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -98.44 26.16 5.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 49.11 54.02 11.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.193 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -105.13 20.61 18.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -98.78 100.67 11.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -168.81 36.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.0 m170 60.69 173.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.07 130.6 46.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.2 tp -149.98 116.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -128.77 -66.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.36 95.06 5.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -35.21 77.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 139.16 -144.84 15.86 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.578 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.46 -47.67 23.59 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 t -81.21 125.57 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.84 105.86 3.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.476 -1.18 . . . . 0.0 112.429 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -87.84 170.51 11.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p -120.26 -42.23 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.21 -115.08 5.18 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.86 -47.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.983 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.5 p -171.79 -178.52 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.36 104.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.1 m -125.24 126.3 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.16 103.81 15.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -108.19 -2.39 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.399 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 t0 61.75 91.18 0.06 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.57 31.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.2 m -122.09 62.78 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -105.03 -21.22 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtp -137.42 30.97 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -113.88 76.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -95.31 109.5 21.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -61.41 -176.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.78 -39.67 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.11 -57.12 12.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -64.69 -35.14 80.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.432 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 64.7 t-105 -52.03 -27.77 14.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.28 -26.73 30.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.94 20.04 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.213 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.6 mt -96.62 177.76 5.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -107.42 -179.62 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 t -66.93 -31.07 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -40.24 45.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -67.35 -46.27 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 22.5 mttt -61.43 -27.09 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -89.56 -37.01 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.016 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.85 -39.84 95.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.98 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -65.34 -28.32 69.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.9 -28.7 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.3 -50.86 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -62.91 -33.5 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mmm -77.45 -17.74 57.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.9 mt -80.43 -31.57 37.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.739 0.304 . . . . 0.0 110.961 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -77.9 -48.58 16.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.803 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.26 62.18 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -176.04 -57.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -69.5 -23.27 63.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.19 28.01 4.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.8 mt -107.96 31.58 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -18.73 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -106.61 10.2 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.337 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mp 47.11 76.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.897 0.38 . . . . 0.0 111.369 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.97 -62.35 0.22 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.559 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.3 t80 61.8 74.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.18 43.54 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -97.08 26.11 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -95.4 39.21 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -75.25 -27.84 59.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -57.27 140.3 50.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -89.33 107.38 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.9 tp -174.14 112.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.11 -52.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.02 77.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 p -99.2 35.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.74 -168.92 44.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.5 99.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.633 2.222 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.3 p -163.05 -52.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.795 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.3 m 61.14 -177.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.484 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -159.13 -175.53 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t 60.39 89.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.81 -35.29 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.7 167.18 11.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 t -138.46 148.25 44.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.28 85.14 0.42 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.25 115.66 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -103.19 61.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -110.27 -22.62 11.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.116 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -95.36 39.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -119.42 -19.83 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 m -111.44 38.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.181 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -83.32 -20.2 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.65 30.21 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -96.2 78.39 3.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.417 ' CG ' HD13 ' A' ' 25' ' ' LEU . 52.1 m-85 -94.42 113.61 25.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.1 p -63.9 -174.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.68 -45.24 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.05 -48.05 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -60.28 -31.2 70.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.417 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 66.8 t-105 -56.75 -27.95 60.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -24.2 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.7 20.03 9.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.295 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 HD13 ' CG ' ' A' ' 17' ' ' PHE . 28.6 mt -103.89 -178.83 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.12 -179.95 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -67.02 -30.61 70.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 m -73.51 -38.4 65.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -75.3 -37.87 60.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 31.8 mttt -66.42 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -33.55 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.91 -41.29 87.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -68.46 -26.89 65.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.719 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.71 -31.49 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.66 -52.68 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 m -63.05 -31.4 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.043 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.7 mmt -77.58 -37.17 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.16 -31.49 72.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -86.2 -31.21 21.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -101.17 49.01 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -164.75 -62.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -70.97 -30.92 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -91.56 -35.65 14.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt 59.03 36.52 24.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.1 m -86.82 5.28 37.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.347 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -119.9 -3.14 10.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.39 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mp -130.42 -45.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.41 117.32 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 60.61 -168.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 110.819 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -162.04 82.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -111.44 21.54 16.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -112.69 -20.59 11.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.212 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -131.18 91.38 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -107.7 122.63 47.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -158.66 47.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.8 tt -85.33 135.05 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.033 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -106.3 155.37 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -109.16 -29.76 8.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -58.5 95.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.74 79.05 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.417 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.21 -61.65 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.555 2.17 . . . . 0.0 112.266 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.4 166.47 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.08 109.6 2.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.466 -1.186 . . . . 0.0 112.581 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -143.91 -47.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.65 116.82 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.62 -131.78 3.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m 60.3 31.72 20.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -121.1 -42.49 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.07 101.88 2.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.411 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.87 143.08 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -113.25 91.99 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 31.57 2.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -110.09 83.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.62 28.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 m -158.98 59.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -59.43 -21.17 59.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.5 ptp -170.1 35.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.71 75.58 5.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -71.08 117.84 13.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.2 p -60.7 -177.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.81 -47.1 86.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.28 -47.89 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -60.38 -30.95 69.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.435 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.1 t-105 -60.57 -31.73 70.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.15 -26.59 42.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.5 mt -94.79 19.97 9.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.257 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.5 mt -98.52 -177.11 3.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.57 -177.33 3.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -69.42 -17.94 63.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.263 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -35.02 27.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -83.38 -41.97 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 3.4 tttt -59.34 -30.46 68.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.24 -31.18 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.993 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.55 -42.32 78.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -68.34 -25.14 64.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.93 -30.88 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -60.03 -38.64 83.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -71.22 -30.41 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 55.6 mmm -63.91 -34.29 77.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.26 -45.56 92.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -38.34 89.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -99.69 44.92 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -153.83 -49.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -92.74 14.39 17.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -112.17 -27.16 8.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.48 66.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.994 0.426 . . . . 0.0 110.652 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.91 4.9 35.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.448 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.52 57.47 4.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.966 0.412 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -102.28 30.82 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.15 -47.86 2.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.379 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.6 t80 58.7 176.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.803 0.335 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -168.12 81.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -94.44 17.4 13.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -96.05 83.09 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -95.75 41.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -152.81 169.35 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -75.85 145.13 40.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.4 mt -92.06 108.89 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -44.97 75.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.326 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.68 88.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.832 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.0 m -126.31 97.69 5.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.73 -167.04 36.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.17 154.23 11.21 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.552 2.168 . . . . 0.0 112.398 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -142.13 106.19 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 m -124.2 -44.22 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.444 -1.198 . . . . 0.0 112.415 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -130.04 31.91 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -48.15 78.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.36 -159.23 52.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.2 m -116.15 -41.94 3.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -135.05 31.42 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.51 -176.63 2.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.9 -179.25 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.351 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 m 61.76 87.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.74 31.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.13 78.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -151.24 32.32 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m -113.7 72.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.085 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -107.51 100.56 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mtt 60.56 43.37 12.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 p-10 -117.45 31.7 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.411 ' CG ' HD12 ' A' ' 25' ' ' LEU . 38.5 m-85 -59.73 117.25 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 p -79.27 -177.37 5.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.84 -33.67 67.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.05 -51.53 13.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -61.54 -30.29 70.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.434 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.6 t-105 -58.04 -28.87 64.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.66 -26.68 31.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.0 mt -94.64 20.09 9.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.227 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.411 HD12 ' CG ' ' A' ' 17' ' ' PHE . 17.3 mt -99.88 159.95 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -82.59 178.82 8.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.95 -30.91 67.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.67 -32.65 62.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -72.69 -46.02 55.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 15.8 mttt -60.14 -29.84 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -29.34 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 mt -73.06 -38.23 66.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -70.09 -23.34 63.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.58 -28.7 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.35 -37.77 78.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.55 -34.61 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.252 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -46.17 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.79 -30.87 69.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.95 -42.35 69.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -104.87 65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -162.31 -66.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -76.88 -27.36 54.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.981 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -99.12 36.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.8 mt -94.33 42.04 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -69.59 -12.46 61.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.284 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.5 81.94 2.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.845 0.355 . . . . 0.0 110.75 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.2 mt -97.06 37.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.23 -169.41 54.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.456 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -122.98 165.05 17.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.788 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.15 94.77 2.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -139.13 15.13 2.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -77.94 116.9 18.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.81 88.02 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -113.18 38.5 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -89.28 158.99 17.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 tp -94.14 60.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -99.07 -26.34 14.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.098 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 64.37 -79.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.96 79.16 2.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.42 -148.14 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.05 -50.89 12.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.633 2.222 . . . . 0.0 112.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.7 p -79.09 123.92 27.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -139.46 113.1 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.297 -1.279 . . . . 0.0 112.528 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.55 85.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.01 155.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.78 -60.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -68.5 -30.32 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t 61.73 114.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.02 -47.19 4.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.48 120.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -129.24 34.58 4.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.11 30.96 6.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -129.92 99.79 5.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -156.55 29.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 m -143.36 77.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -89.74 -21.21 22.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.2 mmt -110.64 71.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -141.24 75.61 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.407 ' CG ' HD13 ' A' ' 25' ' ' LEU . 38.3 m-85 -88.67 118.41 28.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -62.1 -179.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -43.94 97.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.7 -44.69 85.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.1 -30.87 71.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.432 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 62.5 t-105 -59.71 -30.22 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -26.74 43.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.37 20.07 9.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.199 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.407 HD13 ' CG ' ' A' ' 17' ' ' PHE . 16.2 mt -101.77 155.09 18.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.22 175.15 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -36.09 79.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -68.5 -31.37 70.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -79.86 -41.41 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 42.1 mttt -62.89 -29.23 70.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -40.35 16.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 mt -63.84 -38.79 92.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -72.92 -25.59 61.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.906 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.01 -29.36 32.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.51 -43.79 93.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -81.53 -33.01 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.4 mmm -60.96 -30.88 70.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.43 -31.69 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -70.66 -45.08 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -95.44 46.39 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -161.88 -44.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.2 -22.45 52.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -97.4 28.52 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.986 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -118.72 38.19 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 m -59.22 -24.48 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -127.11 1.8 6.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.482 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mp 45.08 40.33 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-O 120.957 0.408 . . . . 0.0 111.387 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.78 -61.63 3.65 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.56 88.73 1.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.54 97.08 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -96.11 20.95 9.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -98.76 73.27 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -84.95 68.05 10.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.84 29.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 54.56 81.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.078 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -100.8 112.51 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -47.16 21.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.07 100.2 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 p -128.16 119.64 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -150.26 55.98 0.47 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -51.12 -71.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.771 2.314 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -63.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.079 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.0 m -62.03 -178.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.503 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -142.69 -65.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -149.16 -48.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.29 -133.56 10.66 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -149.25 94.4 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 m -111.33 139.02 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.804 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.05 118.26 3.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t 61.97 151.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.095 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.2 m -144.7 77.5 1.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.06 -2.58 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.457 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 51.91 86.64 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -168.07 36.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.5 m -148.64 41.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.49 -20.84 13.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 52.0 mmm -133.29 33.28 3.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.42 78.85 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -91.02 123.36 34.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.7 p -78.98 -175.13 4.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.46 -43.24 99.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -35.67 79.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.23 -30.3 54.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.419 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 62.6 t-105 -59.15 -29.99 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -27.65 41.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.67 20.07 10.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.1 mt -98.74 174.48 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.41 -172.6 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -73.12 -21.08 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -33.4 39.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -84.98 -31.51 23.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 49.8 mttt -71.84 -29.31 64.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -38.24 15.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.04 -41.79 77.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -68.53 -25.57 65.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -80.58 -28.54 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.45 -52.28 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 m -64.18 -30.69 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.9 mmt -67.15 -31.11 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.62 -51.32 14.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.18 -38.77 88.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.1 m -91.78 50.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -174.88 -60.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -28.89 69.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -98.83 30.54 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 mt -92.1 -31.52 15.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.6 m 71.6 7.47 5.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.526 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -135.0 78.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.01 65.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.6 88.33 1.58 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.56 109.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -118.36 113.56 21.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -139.48 22.0 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -107.55 33.28 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -141.81 125.96 17.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -122.16 -61.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -82.76 175.79 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 8.7 tp -75.98 117.23 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.046 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.9 151.12 28.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -87.71 -27.84 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t 64.05 84.43 0.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.52 -98.5 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.56 -73.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -60.36 144.2 51.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.962 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 p -93.69 142.3 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.34 -1.256 . . . . 0.0 112.5 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -124.55 -74.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.64 25.94 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.51 15.96 54.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.828 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 49.21 28.51 2.24 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.728 0.299 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 m -117.72 178.65 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.61 -77.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.416 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -125.86 149.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.184 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.49 31.97 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -99.16 31.46 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -122.17 57.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -118.75 -21.02 8.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.3 m -111.47 31.07 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.121 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -99.93 84.27 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.91 56.6 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -93.0 59.19 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.5 110.88 19.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -71.49 -177.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -40.92 93.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.73 -46.21 76.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.02 -30.65 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 63.9 t-105 -55.88 -29.52 60.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.98 -27.68 39.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.34 19.97 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.204 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.413 HD12 ' CE3' ' A' ' 22' ' ' TRP . 23.0 mt -95.45 168.15 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -102.46 -177.88 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.56 -30.88 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.5 p -73.24 -39.41 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -70.53 -47.64 59.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 3.7 mttt -58.84 -29.16 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.36 -29.9 19.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mt -74.07 -39.54 63.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.955 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -70.3 -27.58 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.754 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.05 -30.64 55.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.8 -35.91 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.5 m -81.15 -24.91 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.263 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -3.41 42.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt -103.48 -30.68 10.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.735 0.303 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.29 -46.86 15.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 m -95.62 43.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -156.52 -57.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.74 -31.08 69.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -99.98 30.39 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.61 -58.83 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 -19.18 10.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.226 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -71.84 65.81 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mt -109.03 -30.82 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.13 -97.81 2.24 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -154.8 123.0 5.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -117.87 131.59 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -148.49 22.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -105.76 20.27 19.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.11 35.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.81 0.338 . . . . 0.0 110.989 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.7 m170 52.49 -179.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -104.17 122.3 45.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 tp -63.47 114.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.041 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -115.64 -38.08 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.78 61.9 5.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.87 90.02 3.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.72 108.26 2.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.91 158.07 2.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.524 2.149 . . . . 0.0 112.412 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 t -109.12 48.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.0 p -121.97 32.81 5.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.535 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -139.64 104.98 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.3 -32.88 6.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.25 169.45 41.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.41 31.57 20.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.08 135.57 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.95 -80.64 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.583 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.01 173.06 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -128.69 63.57 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -101.57 33.43 2.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -167.21 156.03 10.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.92 31.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 m -129.16 53.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -109.86 -18.35 13.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.375 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 mtt -88.77 53.21 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.377 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -106.4 34.44 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -68.73 104.82 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.1 p -68.68 -171.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.89 -37.83 80.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -47.59 60.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -66.45 -30.23 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 67.2 t-105 -57.77 -30.11 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.44 -27.29 34.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.31 19.99 9.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.1 mt -95.45 -179.49 4.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.13 174.15 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.1 m -63.12 -31.83 73.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.9 -31.57 51.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -75.43 -40.28 57.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 38.7 mttt -66.1 -29.35 69.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.76 -33.52 19.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.8 mt -66.91 -41.58 86.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -68.9 -25.87 64.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.03 -29.96 24.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -59.45 -43.11 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.7 -34.15 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -31.8 72.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -78.89 -31.75 45.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.3 -48.89 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 m -101.25 62.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -176.72 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.809 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.43 29.17 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -146.8 21.89 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 mt -101.45 39.24 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 m -72.79 -12.61 61.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.424 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -130.32 98.95 4.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.83 0.347 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.6 mt -108.18 33.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.2 -149.97 5.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.633 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 62.55 118.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.56 92.09 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -118.49 -3.55 10.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.317 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.28 -69.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.139 0.495 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.9 t0 60.2 93.06 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -116.3 -66.34 1.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.3 m80 60.22 90.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.6 tp -97.39 75.38 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 54.87 -166.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -156.6 126.96 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -159.28 31.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.13 152.21 24.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.456 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.88 -165.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.611 2.207 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m 62.79 -176.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.6 t 68.49 -68.49 0.17 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.471 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 p -125.61 -42.8 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 110.993 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t 63.29 99.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.34 166.19 23.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.441 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -67.26 158.27 31.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.82 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t -107.5 -55.17 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.44 -118.17 0.61 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 t -96.42 144.09 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.16 79.56 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.94 31.24 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.93 31.67 5.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -157.66 38.85 0.28 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 m 40.84 84.67 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.808 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -94.78 108.18 20.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 63.84 31.28 14.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.798 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -116.66 79.5 1.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -87.66 132.51 34.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -80.59 -178.89 6.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -38.95 87.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.797 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.93 -49.88 59.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -65.72 -29.22 69.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.027 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 30' ' ' LYS . 63.5 t-105 -57.78 -29.03 64.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -26.82 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -95.16 20.11 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.201 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.6 mt -96.77 170.78 8.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -111.24 -176.45 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 m -66.76 -16.12 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 m -89.47 -38.13 14.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -77.26 -31.27 54.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 51.8 mttt -74.73 -29.53 61.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -40.79 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.14 -40.3 95.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -65.61 -26.83 68.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.89 -30.74 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.34 -52.83 63.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.6 m -64.8 -33.92 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.0 mtm -67.25 -33.2 74.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.799 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.96 -35.15 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.47 27.57 4.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 m -160.29 32.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.732 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -155.93 -40.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.41 35.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -159.8 -44.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.671 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.9 mt 58.16 88.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.079 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.92 -21.37 54.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -149.16 100.8 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.804 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -92.07 -36.82 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.93 -171.34 22.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -173.68 114.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.95 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.71 94.15 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -96.26 21.06 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' HB3' ' CD2' ' A' ' 54' ' ' HIS . 1.6 mt-30 -95.87 -35.4 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.32 -78.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.155 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.43 ' CD2' ' HB3' ' A' ' 52' ' ' GLN . 73.8 m-70 63.14 129.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -169.06 81.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 tt -69.29 117.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -125.77 -41.1 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.7 92.79 0.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.61 63.12 7.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.44 150.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.16 -61.89 0.41 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.595 2.197 . . . . 0.0 112.308 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -114.17 96.49 5.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.83 -31.43 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.517 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -100.82 170.26 8.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 p -168.46 -70.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.0 103.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -154.83 179.95 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.9 p -160.02 137.08 9.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.16 53.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.443 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.6 m -147.21 152.51 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.768 0.318 . . . . 0.0 111.224 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.05 89.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.42 -30.38 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -122.85 43.02 3.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -171.2 88.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.756 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.9 m -139.78 15.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.549 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 49.82 -93.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.417 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.7 mmt -145.92 52.21 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.397 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -136.44 44.52 2.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.419 ' CZ ' HD22 ' A' ' 25' ' ' LEU . 91.9 m-85 -59.48 145.82 42.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.2 p -95.56 -174.86 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -43.74 97.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.25 -52.98 34.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -29.89 68.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.429 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.6 t-105 -56.89 -29.55 63.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.42 -23.63 34.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -94.51 20.02 8.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.226 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 43.0 mt -104.4 179.88 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -111.96 -179.27 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 m -66.16 -30.98 71.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -42.26 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -70.35 -39.51 74.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 44.3 mttt -66.26 -29.33 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -86.37 -35.76 19.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.19 -35.83 80.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -72.83 -23.69 60.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -84.55 -30.4 25.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.36 -31.25 69.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 m -79.16 -30.83 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.1 mtp -76.62 -34.24 58.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.6 mt -74.86 -32.72 61.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.56 -31.32 59.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 m -98.18 44.38 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.85 -45.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -98.61 31.22 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -150.29 26.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.975 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.03 -41.26 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.4 m 70.66 7.92 6.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.576 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -172.17 98.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mt -93.96 -58.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.5 56.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -151.5 140.38 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.93 117.09 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -143.37 23.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -133.84 64.27 1.61 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 110.786 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' HIS . 4.9 t70 -159.28 41.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.737 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 75.3 m-70 -161.06 -39.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.106 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 76.98 111.27 0.07 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.8 tt -70.74 123.66 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.204 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -110.52 -30.82 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.3 111.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -153.69 126.48 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.79 -84.86 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.571 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.09 153.45 12.45 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.625 2.217 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 p -123.79 36.57 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -165.99 121.82 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.473 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.43 80.86 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -71.41 167.78 18.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.1 157.14 27.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -77.14 103.89 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -102.01 106.96 17.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.37 -44.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m -101.83 152.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -145.96 84.74 1.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.9 30.71 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.08 34.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -123.16 -2.45 8.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.7 m -137.4 91.73 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 111.16 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -96.63 32.26 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 mmt -125.99 40.42 3.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.788 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -107.96 36.04 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -60.19 118.06 5.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.4 p -74.72 -173.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.15 83.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.38 -55.19 37.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.36 -32.28 71.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.436 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.6 t-105 -56.03 -30.87 62.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -80.33 -24.59 39.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -97.9 20.0 12.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.274 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.3 mt -94.84 -179.74 4.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.862 0.363 . . . . 0.0 110.819 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -112.32 179.12 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.1 m -65.69 -31.05 71.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -73.29 -39.43 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -72.53 -45.51 58.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 20.3 mttt -60.08 -28.46 67.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -86.96 -46.23 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.38 -37.96 82.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 37' ' ' MET . 22.2 t80 -70.44 -27.0 63.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.809 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.85 -29.89 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -59.64 -52.85 63.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -71.51 -34.5 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.418 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.8 mmm -62.98 -36.05 82.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.33 -39.19 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.21 -31.91 73.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.51 43.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -161.13 -44.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -27.06 37.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -98.05 30.42 3.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.0 mt -89.67 -35.57 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.9 m 71.41 7.58 6.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.575 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.54 79.44 1.39 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.6 mt -122.62 34.16 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.02 124.26 32.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.539 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.6 131.75 49.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.71 87.93 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -124.08 16.82 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.232 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.96 77.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 111.001 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -132.96 30.54 3.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.2 m170 59.37 -178.59 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 86.95 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.401 HG23 HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -63.47 118.0 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.993 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -116.64 -57.47 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 69.39 -66.05 0.27 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -28.56 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.089 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.67 73.53 0.43 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.572 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.44 90.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.645 2.23 . . . . 0.0 112.239 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.68 94.87 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 m -174.25 100.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.451 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -55.83 -48.47 75.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -63.12 -50.87 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.763 ' HA ' HD12 ' A' ' 24' ' ' LEU . 7.7 mt-10 -59.87 -36.57 77.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.424 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 67.3 t-105 -50.59 -27.2 6.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.247 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.33 -21.13 31.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.258 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.3 mt -97.05 20.12 11.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.348 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.406 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.7 mt -105.47 -178.77 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.998 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.18 -175.28 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -70.19 -30.74 67.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 32' ' ' LEU . 24.4 m -72.51 -46.48 54.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 1.5 mm100 -66.55 -44.17 83.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.749 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 23.1 mttt -59.26 -29.58 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.003 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -90.25 -30.79 17.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 28' ' ' SER . 4.4 mt -67.55 -38.57 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -71.17 -26.42 62.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.759 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.14 -28.7 22.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.768 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.979 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.57 -42.32 87.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.08 -51.7 55.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 24' ' ' LEU . 4.6 mt-10 -60.64 -30.81 70.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.42 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 67.9 t-105 -57.17 -29.96 64.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.56 -26.04 26.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.0 mt -94.78 20.02 9.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.211 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 25' ' ' LEU . 12.1 mt -94.51 -177.44 4.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.33 165.28 11.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -59.16 -29.92 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.488 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.5 t -79.56 -36.27 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -66.8 -46.27 75.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 23.6 mttt -59.32 -29.83 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -31.14 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 28' ' ' SER . 4.3 mt -68.9 -47.34 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -65.65 -29.18 69.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.762 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.05 -30.08 28.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.991 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -58.16 -33.63 69.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -75.9 -51.32 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -60.49 -30.47 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.731 ' HA ' HD12 ' A' ' 25' ' ' LEU . 70.5 t-105 -57.3 -28.02 62.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -80.8 -28.89 36.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -95.74 20.06 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 22' ' ' TRP . 18.1 mt -91.46 175.74 6.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -106.05 170.61 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -60.84 -32.52 71.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.59 -36.37 63.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.543 ' CB ' HD22 ' A' ' 25' ' ' LEU . 7.5 mm100 -68.65 -44.0 75.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 9.2 mttt -60.15 -30.55 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -85.72 -39.68 16.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.26 -37.95 86.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -72.59 -24.25 61.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -86.56 -28.31 23.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.6 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.73 0.3 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -61.74 -35.89 79.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.44 -43.11 64.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.8 mt-10 -72.72 -37.28 67.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.751 ' HA ' HD12 ' A' ' 25' ' ' LEU . 68.6 t-105 -53.68 -27.26 26.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.3 -24.67 32.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.9 mt -95.23 20.02 9.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.344 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 22' ' ' TRP . 64.4 mt -102.86 166.79 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.986 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.16 -178.11 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 m -67.84 -33.65 75.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' HD12 ' A' ' 32' ' ' LEU . 60.4 m -67.26 -43.01 82.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.51 -47.27 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 20.6 mttt -57.41 -28.83 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.27 -34.79 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 28' ' ' SER . 3.2 mt -67.11 -45.49 77.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.421 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -64.52 -28.47 69.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.765 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.26 -29.81 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.44 -40.71 87.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.11 -61.37 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.0 -30.55 69.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.435 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 65.1 t-105 -55.87 -28.68 57.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.61 -24.88 38.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.84 20.09 18.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.212 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 25' ' ' LEU . 13.1 mt -94.45 163.53 13.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.96 171.67 8.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -31.11 71.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.692 ' O ' HD12 ' A' ' 32' ' ' LEU . 3.1 m -73.67 -33.39 64.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -75.66 -36.26 60.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 37.8 mttt -67.85 -27.56 66.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -88.89 -38.25 14.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 28' ' ' SER . 3.6 mt -66.32 -40.65 90.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -70.17 -27.05 64.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.769 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -81.24 -29.63 34.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.72 -42.53 90.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.61 -52.61 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.67 ' HA ' HD12 ' A' ' 24' ' ' LEU . 9.5 mt-10 -59.2 -36.97 76.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.453 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.4 t-105 -50.1 -27.11 5.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.32 -20.86 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.6 mt -95.39 20.05 9.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.427 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -107.32 -179.95 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -107.83 -176.35 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -68.75 -34.95 76.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -45.39 83.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.04 -44.17 80.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 22.0 mttt -59.88 -30.01 68.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -86.53 -33.18 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.33 -46.93 65.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.001 0.429 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -64.86 -29.97 70.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.732 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.26 -31.14 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.841 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.39 -43.48 92.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.54 -49.14 70.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 24' ' ' LEU . 5.2 mt-10 -67.49 -35.23 78.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.736 ' HA ' HD12 ' A' ' 25' ' ' LEU . 71.0 t-105 -56.82 -28.19 61.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -25.8 35.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.4 mt -95.03 20.02 9.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.225 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 22' ' ' TRP . 41.4 mt -99.81 166.61 11.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -101.12 -178.28 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.1 t -67.0 -31.48 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.4 p -68.68 -40.86 79.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.484 ' CB ' HD22 ' A' ' 25' ' ' LEU . 10.2 mm-40 -74.62 -46.37 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 42.1 mttt -59.3 -26.63 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.05 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -89.84 -31.56 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 mt -73.39 -40.72 64.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -66.9 -25.16 66.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.57 -30.38 27.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.998 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.83 -45.68 91.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.74 -51.36 68.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.3 mt-10 -64.43 -32.95 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 63.9 t-105 -55.68 -29.28 59.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -25.28 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.071 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.5 mt -95.48 19.98 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.238 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 25' ' ' LEU . 19.9 mt -103.22 172.43 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.87 172.99 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.1 t -58.84 -28.8 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -70.36 -41.65 72.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -77.43 -31.92 54.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 40.5 mttt -67.54 -38.02 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -82.83 -33.52 27.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.121 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 28' ' ' SER . 15.6 mt -67.8 -42.93 80.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.46 -27.03 67.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -82.15 -28.14 32.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.019 -179.84 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.22 -48.09 81.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.89 -51.78 66.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.787 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.9 mt-10 -62.37 -33.44 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.461 ' HA ' HD12 ' A' ' 25' ' ' LEU . 62.5 t-105 -54.86 -29.29 55.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -85.78 -20.79 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -94.57 20.08 8.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.313 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 22' ' ' TRP . 54.4 mt -114.95 163.38 15.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -91.38 173.22 8.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 t -59.83 -41.14 90.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.614 ' O ' HD12 ' A' ' 32' ' ' LEU . 23.1 t -60.88 -29.97 69.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -80.71 -43.71 19.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.824 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -56.86 -40.27 75.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.048 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -33.78 49.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 28' ' ' SER . 6.5 mt -61.38 -42.52 98.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -72.58 -22.66 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.842 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -87.07 -27.36 23.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.024 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.778 0.323 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.78 -39.67 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.11 -57.12 12.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 24' ' ' LEU . 20.6 mt-10 -64.69 -35.14 80.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.433 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 64.7 t-105 -52.03 -27.77 14.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.28 -26.73 30.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.6 mt -95.94 20.04 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.213 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 20.6 mt -96.62 177.76 5.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -107.42 -179.62 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 t -66.93 -31.07 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -40.24 45.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.407 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 5.9 mm100 -67.35 -46.27 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 22.5 mttt -61.43 -27.09 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -89.56 -37.01 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.016 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.85 -39.84 95.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.98 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -65.34 -28.32 69.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.9 -28.7 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.339 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.68 -45.24 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.05 -48.05 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HA ' HD12 ' A' ' 24' ' ' LEU . 9.9 mt-10 -60.28 -31.2 70.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.412 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 66.8 t-105 -56.75 -27.95 60.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -24.2 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.0 mt -94.7 20.03 9.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.6 mt -103.89 -178.83 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.12 -179.95 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -67.02 -30.61 70.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 m -73.51 -38.4 65.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -75.3 -37.87 60.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 31.8 mttt -66.42 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -33.55 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.91 -41.29 87.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -68.46 -26.89 65.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.719 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.71 -31.49 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.952 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.2 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.817 0.341 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.81 -47.1 86.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.28 -47.89 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.5 mt-10 -60.38 -30.95 69.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.462 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.1 t-105 -60.57 -31.73 70.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.15 -26.59 42.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.5 mt -94.79 19.97 9.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.257 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 29' ' ' GLN . 12.5 mt -98.52 -177.11 3.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.57 -177.33 3.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -69.42 -17.94 63.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.263 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -35.02 27.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.573 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.1 mp0 -83.38 -41.97 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 3.4 tttt -59.34 -30.46 68.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.24 -31.18 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.993 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.55 -42.32 78.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -68.34 -25.14 64.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.93 -30.88 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.84 -33.67 67.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.05 -51.53 13.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 24' ' ' LEU . 8.0 mt-10 -61.54 -30.29 70.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.443 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.6 t-105 -58.04 -28.87 64.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.66 -26.68 31.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.0 mt -94.64 20.09 9.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.227 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.3 mt -99.88 159.95 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -82.59 178.82 8.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.95 -30.91 67.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.67 -32.65 62.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -72.69 -46.02 55.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 15.8 mttt -60.14 -29.84 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -29.34 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 28' ' ' SER . 9.4 mt -73.06 -38.23 66.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -70.09 -23.34 63.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.58 -28.7 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -43.94 97.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.7 -44.69 85.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.1 -30.87 71.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.45 ' HA ' HD12 ' A' ' 25' ' ' LEU . 62.5 t-105 -59.71 -30.22 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -26.74 43.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.37 20.07 9.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.199 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.685 HD22 ' CB ' ' A' ' 29' ' ' GLN . 16.2 mt -101.77 155.09 18.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.22 175.15 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -36.09 79.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.659 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -68.5 -31.37 70.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.685 ' CB ' HD22 ' A' ' 25' ' ' LEU . 5.8 mm100 -79.86 -41.41 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 42.1 mttt -62.89 -29.23 70.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -40.35 16.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 28' ' ' SER . 7.4 mt -63.84 -38.79 92.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -72.92 -25.59 61.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.906 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.01 -29.36 32.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.46 -43.24 99.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -35.67 79.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.23 -30.3 54.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 62.6 t-105 -59.15 -29.99 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -27.65 41.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.67 20.07 10.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.733 HD22 ' CB ' ' A' ' 29' ' ' GLN . 14.1 mt -98.74 174.48 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.41 -172.6 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -73.12 -21.08 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.458 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.9 -33.4 39.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.86 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.733 ' CB ' HD22 ' A' ' 25' ' ' LEU . 3.0 mp0 -84.98 -31.51 23.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 49.8 mttt -71.84 -29.31 64.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -38.24 15.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 28' ' ' SER . 20.0 mt -69.04 -41.79 77.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -68.53 -25.57 65.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -80.58 -28.54 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.844 0.354 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -40.92 93.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.73 -46.21 76.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.02 -30.65 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.614 ' HA ' HD12 ' A' ' 25' ' ' LEU . 63.9 t-105 -55.88 -29.52 60.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.98 -27.68 39.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.34 19.97 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.204 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.647 HD22 ' CB ' ' A' ' 29' ' ' GLN . 23.0 mt -95.45 168.15 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -102.46 -177.88 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.56 -30.88 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.673 ' O ' HD12 ' A' ' 32' ' ' LEU . 96.5 p -73.24 -39.41 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.647 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.5 mm100 -70.53 -47.64 59.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 3.7 mttt -58.84 -29.16 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.36 -29.9 19.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 28' ' ' SER . 4.6 mt -74.07 -39.54 63.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -70.3 -27.58 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.754 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.05 -30.64 55.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.1 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.785 0.326 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.89 -37.83 80.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -47.59 60.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -66.45 -30.23 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 67.2 t-105 -57.77 -30.11 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.44 -27.29 34.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.31 19.99 9.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 29' ' ' GLN . 13.1 mt -95.45 -179.49 4.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.13 174.15 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.1 m -63.12 -31.83 73.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.636 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -77.9 -31.57 51.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.506 ' CB ' HD22 ' A' ' 25' ' ' LEU . 5.5 mm100 -75.43 -40.28 57.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 38.7 mttt -66.1 -29.35 69.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.76 -33.52 19.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 28' ' ' SER . 4.8 mt -66.91 -41.58 86.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -68.9 -25.87 64.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.03 -29.96 24.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.851 0.357 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -38.95 87.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.797 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.93 -49.88 59.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HA ' HD12 ' A' ' 24' ' ' LEU . 10.2 mt-10 -65.72 -29.22 69.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.538 ' CE3' HD12 ' A' ' 25' ' ' LEU . 63.5 t-105 -57.78 -29.03 64.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -26.82 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -95.16 20.11 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.201 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.921 HD22 ' CB ' ' A' ' 29' ' ' GLN . 14.6 mt -96.77 170.78 8.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -111.24 -176.45 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 m -66.76 -16.12 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.615 ' O ' HD12 ' A' ' 32' ' ' LEU . 10.8 m -89.47 -38.13 14.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.921 ' CB ' HD22 ' A' ' 25' ' ' LEU . 4.7 mp0 -77.26 -31.27 54.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 51.8 mttt -74.73 -29.53 61.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -40.79 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 28' ' ' SER . 4.9 mt -64.14 -40.3 95.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -65.61 -26.83 68.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.89 -30.74 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -43.74 97.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.25 -52.98 34.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.648 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -59.55 -29.89 68.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.6 t-105 -56.89 -29.55 63.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.42 -23.63 34.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -94.51 20.02 8.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.226 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 22' ' ' TRP . 43.0 mt -104.4 179.88 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -111.96 -179.27 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 m -66.16 -30.98 71.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -42.26 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -70.35 -39.51 74.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 44.3 mttt -66.26 -29.33 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -86.37 -35.76 19.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.19 -35.83 80.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -72.83 -23.69 60.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -84.55 -30.4 25.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.15 83.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.38 -55.19 37.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.9 mt-10 -60.36 -32.28 71.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.451 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.6 t-105 -56.03 -30.87 62.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -80.33 -24.59 39.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -97.9 20.0 12.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.274 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 25' ' ' LEU . 15.3 mt -94.84 -179.74 4.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.862 0.363 . . . . 0.0 110.819 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -112.32 179.12 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.1 m -65.69 -31.05 71.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.529 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -73.29 -39.43 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -72.53 -45.51 58.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 20.3 mttt -60.08 -28.46 67.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -86.96 -46.23 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 28' ' ' SER . 4.9 mt -60.38 -37.96 82.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -70.44 -27.0 63.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.809 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.85 -29.89 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 -179.877 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.59 -55.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -116.9 -67.46 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.76 -107.45 0.94 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -176.48 127.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.76 31.88 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.3 -80.9 0.33 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.397 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 8' ' ' VAL . 24.0 t 62.23 44.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.97 0.414 . . . . 0.0 111.015 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 p -88.89 83.69 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -33.5 74.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.14 41.25 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.0 31.21 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 m -135.94 54.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -98.51 31.1 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.37 30.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.73 69.29 9.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.636 ' CG ' HD11 ' A' ' 25' ' ' LEU . 30.6 m-85 -83.41 123.78 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.8 p -81.67 -176.97 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -55.83 -48.47 75.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -63.12 -50.87 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.763 ' HA ' HD12 ' A' ' 24' ' ' LEU . 7.7 mt-10 -59.87 -36.57 77.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.424 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 67.3 t-105 -50.59 -27.2 6.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.247 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.33 -21.13 31.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.258 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.3 mt -97.05 20.12 11.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.348 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.636 HD11 ' CG ' ' A' ' 17' ' ' PHE . 95.7 mt -105.47 -178.77 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.998 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.18 -175.28 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -70.19 -30.74 67.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 32' ' ' LEU . 24.4 m -72.51 -46.48 54.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 1.5 mm100 -66.55 -44.17 83.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.749 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 23.1 mttt -59.26 -29.58 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.003 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -90.25 -30.79 17.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 28' ' ' SER . 4.4 mt -67.55 -38.57 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -71.17 -26.42 62.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.759 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.14 -28.7 22.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.768 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.8 -32.52 69.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.979 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.8 m -85.51 -31.29 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mtp -70.44 -55.66 8.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.34 -30.39 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.9 -40.89 65.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 m -114.61 70.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -178.53 -50.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -98.32 -25.53 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -95.22 45.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.006 0.431 . . . . 0.0 110.782 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.4 mt -122.54 69.63 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 45' ' ' THR . 30.0 m -108.6 7.15 26.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.39 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -105.74 42.78 1.2 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.89 -32.47 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.41 -159.05 14.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.26 -176.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -159.21 101.35 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -131.34 22.4 4.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -82.39 85.63 6.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -135.18 109.48 8.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -106.74 156.55 18.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -135.98 131.63 35.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.511 HG22 ' HG2' ' A' ' 58' ' ' GLU . 8.0 mt -108.98 125.45 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -34.29 43.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.511 ' HG2' HG22 ' A' ' 56' ' ' ILE . 7.3 mt-10 60.34 107.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -154.28 111.19 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.97 86.09 0.41 Allowed Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.22 161.27 2.7 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.63 2.22 . . . . 0.0 112.298 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.75 31.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.6 p -78.13 163.97 25.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.465 -1.186 . . . . 0.0 112.547 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 p -163.17 122.25 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.321 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -165.0 -178.53 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.3 -131.05 10.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -124.53 31.8 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.72 154.92 40.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.66 125.71 1.92 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.2 m -66.46 87.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.11 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.2 m -68.61 80.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.56 33.93 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 t0 60.17 73.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.19 30.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.4 m -148.31 72.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -108.06 31.58 5.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.3 mmm -136.7 31.29 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -97.81 41.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.467 ' CG ' HD11 ' A' ' 25' ' ' LEU . 32.4 m-85 -61.33 117.17 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -71.21 -177.0 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.57 -42.32 87.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.08 -51.7 55.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 24' ' ' LEU . 4.6 mt-10 -60.64 -30.81 70.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.42 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 67.9 t-105 -57.17 -29.96 64.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.56 -26.04 26.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.0 mt -94.78 20.02 9.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.211 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.467 HD11 ' CG ' ' A' ' 17' ' ' PHE . 12.1 mt -94.51 -177.44 4.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.33 165.28 11.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -59.16 -29.92 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.488 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.5 t -79.56 -36.27 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -66.8 -46.27 75.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 23.6 mttt -59.32 -29.83 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -31.14 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 28' ' ' SER . 4.3 mt -68.9 -47.34 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -65.65 -29.18 69.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.762 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.05 -30.08 28.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.23 -30.79 66.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.69 -30.87 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mtp -68.02 -31.4 71.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.82 -47.94 42.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -31.17 72.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.09 42.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.74 -63.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -58.17 -31.97 67.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -86.06 -22.1 27.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.073 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.74 49.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 m -77.77 -8.6 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.333 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t0 64.62 74.3 0.4 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.875 0.369 . . . . 0.0 110.805 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.533 ' O ' HG22 ' A' ' 47' ' ' ILE . 20.3 mt -97.82 34.73 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.27 129.66 3.69 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 60.96 110.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.87 118.52 32.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -125.59 22.7 7.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -111.57 38.29 2.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -153.39 60.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -110.82 -30.3 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -67.69 74.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 pt -105.06 94.55 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.1 -57.07 14.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -141.29 -67.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 m 60.62 34.97 20.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.93 94.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.389 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.27 163.47 0.62 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.545 2.163 . . . . 0.0 112.387 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t 61.26 -178.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -143.06 154.77 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.493 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p -71.44 137.6 48.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.299 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -148.42 -47.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.98 36.63 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -121.45 -178.94 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m 60.3 177.7 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.27 90.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 m -106.24 174.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 111.067 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 9' ' ' THR . 8.4 m -151.7 31.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -28.99 69.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 62.86 118.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -144.98 33.51 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 m -146.87 96.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -81.24 99.78 8.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.806 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtp 60.95 37.36 18.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.61 39.44 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.667 ' CD1' HD21 ' A' ' 25' ' ' LEU . 28.9 m-85 -59.25 107.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 p -69.27 -178.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -58.16 -33.63 69.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -75.9 -51.32 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -60.49 -30.47 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.731 ' HA ' HD12 ' A' ' 25' ' ' LEU . 70.5 t-105 -57.3 -28.02 62.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -80.8 -28.89 36.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -95.74 20.06 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 22' ' ' TRP . 18.1 mt -91.46 175.74 6.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -106.05 170.61 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -60.84 -32.52 71.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.59 -36.37 63.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.543 ' CB ' HD22 ' A' ' 25' ' ' LEU . 30.9 mm-40 -68.65 -44.0 75.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 9.2 mttt -60.15 -30.55 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -85.72 -39.68 16.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.26 -37.95 86.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -72.59 -24.25 61.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -86.56 -28.31 23.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.66 ' HA ' HD12 ' A' ' 38' ' ' LEU . 36.6 mm-40 -57.47 -46.97 83.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.06 -30.31 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -29.92 71.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 35' ' ' GLU . 6.2 mt -58.33 -44.25 88.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.97 -30.93 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 m -103.97 46.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -166.56 -48.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.08 -30.67 61.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -90.32 -37.65 13.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 mt 58.67 84.92 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -107.76 -4.57 17.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.398 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t70 62.27 26.03 15.58 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.738 0.304 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' ' 47' ' ' ILE . 2.4 mt 44.95 39.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.993 0.425 . . . . 0.0 111.468 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.09 -120.48 21.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.537 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -148.39 137.13 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.94 97.16 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -108.61 21.48 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -117.21 51.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.956 0.408 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.17 28.04 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -111.11 -178.19 3.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.775 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -111.79 84.61 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.635 ' O ' HG23 ' A' ' 56' ' ' ILE . 7.8 tp -150.75 98.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -95.83 -30.5 13.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.28 -74.91 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.06 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -61.26 92.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.94 76.05 0.37 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.55 -173.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.597 2.198 . . . . 0.0 112.357 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.62 151.95 17.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -34.83 73.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.459 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -148.62 36.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m 60.82 94.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.61 51.83 1.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.2 30.16 19.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -164.51 107.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.23 -169.86 26.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.1 m -131.23 92.25 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.829 0.347 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.3 m -140.91 94.78 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -149.04 30.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 t70 60.31 92.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -147.13 33.96 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.6 m -142.8 89.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -139.98 38.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.7 42.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -124.19 82.18 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.676 ' CG ' HD11 ' A' ' 25' ' ' LEU . 36.6 m-85 -92.8 117.03 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.6 p -68.79 -178.06 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -61.74 -35.89 79.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.44 -43.11 64.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.8 mt-10 -72.72 -37.28 67.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.751 ' HA ' HD12 ' A' ' 25' ' ' LEU . 68.6 t-105 -53.68 -27.26 26.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.3 -24.67 32.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.9 mt -95.23 20.02 9.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.344 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 22' ' ' TRP . 64.4 mt -102.86 166.79 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.986 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.16 -178.11 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 m -67.84 -33.65 75.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' HD12 ' A' ' 32' ' ' LEU . 60.4 m -67.26 -43.01 82.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -68.51 -47.27 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 20.6 mttt -57.41 -28.83 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.27 -34.79 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 28' ' ' SER . 3.2 mt -67.11 -45.49 77.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.421 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -64.52 -28.47 69.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.765 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.26 -29.81 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.3 -31.56 67.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -89.2 -30.85 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.06 -34.48 77.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.88 -31.49 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -100.94 27.8 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 40' ' ' THR . 7.0 m -151.35 31.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.11 -50.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.58 -23.12 40.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.72 5.81 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.545 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -97.9 37.03 1.45 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.844 0.354 . . . . 0.0 110.807 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 45' ' ' THR . 8.5 m -87.91 6.77 34.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.407 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.77 71.11 0.74 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.902 0.382 . . . . 0.0 110.827 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.563 ' O ' HG22 ' A' ' 47' ' ' ILE . 16.9 mt -111.07 36.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.1 -66.86 1.99 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -112.84 126.61 55.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.25 91.38 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -128.4 23.04 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -101.8 32.26 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -91.79 98.71 11.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -99.52 94.06 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.4 36.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.0 tt -98.06 37.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 64.88 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -138.92 109.82 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -91.41 60.98 4.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.21 -133.33 2.3 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.391 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.67 132.8 37.26 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.454 2.103 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 p -134.22 141.06 46.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.0 p -78.63 173.33 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.505 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -162.13 31.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.794 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -85.3 -175.78 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.87 -140.44 4.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 p -175.98 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -136.77 -177.14 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.25 118.25 2.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.8 t 63.82 139.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.62 94.88 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.76 31.2 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.01 48.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.47 38.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.37 79.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -112.19 -19.62 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.291 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.25 55.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -118.03 82.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.601 ' CG ' HD11 ' A' ' 25' ' ' LEU . 94.9 m-85 -91.43 116.99 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p -68.37 179.23 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.44 -40.71 87.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.11 -61.37 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.0 -30.55 69.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.435 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 65.1 t-105 -55.87 -28.68 57.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.61 -24.88 38.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.84 20.09 18.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.212 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD11 ' CG ' ' A' ' 17' ' ' PHE . 13.1 mt -94.45 163.53 13.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.96 171.67 8.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -31.11 71.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.692 ' O ' HD12 ' A' ' 32' ' ' LEU . 3.1 m -73.67 -33.39 64.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -75.66 -36.26 60.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 37.8 mttt -67.85 -27.56 66.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -88.89 -38.25 14.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 28' ' ' SER . 3.6 mt -66.32 -40.65 90.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -70.17 -27.05 64.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.769 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -81.24 -29.63 34.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.15 -53.27 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -59.4 -30.68 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.7 mmt -70.09 -17.32 63.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt -77.09 -49.89 14.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.752 0.311 . . . . 0.0 111.005 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.11 -46.7 88.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.957 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.25 54.05 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -178.4 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -60.39 -28.07 67.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -83.64 -26.51 29.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD13 ' HB ' ' A' ' 47' ' ' ILE . 16.0 mt -69.15 -66.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.824 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 m 74.92 3.95 4.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.613 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -179.63 34.27 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.713 0.292 . . . . 0.0 111.236 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.777 ' HB ' HD13 ' A' ' 44' ' ' LEU . 7.6 mt -143.25 28.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.1 -167.43 38.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.72 167.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -165.14 90.71 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -114.58 23.21 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.74 73.75 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -87.25 120.9 29.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -65.17 -40.0 93.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.47 132.41 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.39 129.14 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -86.3 117.42 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 p -178.34 38.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -132.33 146.52 18.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.597 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.58 149.44 31.4 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.556 2.171 . . . . 0.0 112.276 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t -114.43 100.66 8.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 m 61.84 149.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.498 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.114 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.63 -178.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t 60.69 175.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.39 -28.52 8.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -163.42 112.07 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -148.54 -66.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.21 83.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.28 133.81 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.53 92.96 5.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.63 30.36 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -166.05 97.49 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.788 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -127.82 29.77 5.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 m -119.07 31.0 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.67 102.01 14.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.409 ' HE2' ' HA ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER 64.74 36.2 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.79 89.91 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.517 ' CG ' HD11 ' A' ' 25' ' ' LEU . 79.7 m-85 -97.12 127.24 42.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -176.93 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.72 -42.53 90.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.61 -52.61 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.67 ' HA ' HD12 ' A' ' 24' ' ' LEU . 9.5 mt-10 -59.2 -36.97 76.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.453 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.4 t-105 -50.1 -27.11 5.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.32 -20.86 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.6 mt -95.39 20.05 9.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.427 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.517 HD11 ' CG ' ' A' ' 17' ' ' PHE . 76.1 mt -107.32 -179.95 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -107.83 -176.35 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -68.75 -34.95 76.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -45.39 83.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.04 -44.17 80.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 22.0 mttt -59.88 -30.01 68.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -86.53 -33.18 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.33 -46.93 65.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.001 0.429 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.409 ' HA ' ' HE2' ' A' ' 15' ' ' MET . 25.0 t80 -64.86 -29.97 70.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.732 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.26 -31.14 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.841 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -42.21 93.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.1 m -78.34 -28.77 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.1 mmm -58.22 -48.22 81.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -64.84 -31.19 72.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -32.42 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.44 ' O ' HG22 ' A' ' 40' ' ' THR . 11.9 m -107.78 37.83 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -138.6 -46.99 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -91.96 -18.93 22.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -97.68 30.06 3.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.813 0.339 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.0 mt -87.76 56.87 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -21.45 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.285 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -127.42 14.27 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.369 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 47' ' ' ILE . 4.4 mp 46.14 75.28 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 120.871 0.367 . . . . 0.0 111.434 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.47 -145.57 16.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.531 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -143.64 112.92 6.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.64 97.33 5.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -96.67 21.71 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -109.7 34.82 3.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -104.61 92.09 4.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.3 -46.84 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -125.48 138.06 53.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 56' ' ' ILE . 0.7 OUTLIER -59.69 117.08 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -153.9 -58.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -109.69 31.06 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.2 t -141.35 76.62 1.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.71 108.62 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.92 133.56 34.22 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.464 2.109 . . . . 0.0 112.388 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 m -122.85 -175.5 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.27 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.492 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -166.09 -178.68 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.337 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -173.77 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.91 101.21 2.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.563 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -121.93 -42.06 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 m 61.41 36.68 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.93 113.18 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.44 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -131.18 124.44 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 111.166 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.486 HG23 ' OE1' ' A' ' 29' ' ' GLN . 0.3 OUTLIER -121.61 31.06 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -22.52 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t0 65.73 33.44 8.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -123.9 17.84 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.047 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 m -107.47 2.41 9.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.372 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 61.15 20.3 10.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.741 0.305 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.423 ' HB3' ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 48.33 88.49 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.118 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -129.17 42.9 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.423 ' CG ' HD11 ' A' ' 25' ' ' LEU . 56.9 m-85 -75.76 136.82 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 p -92.04 -174.86 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.39 -43.48 92.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.54 -49.14 70.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 24' ' ' LEU . 5.2 mt-10 -67.49 -35.23 78.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.736 ' HA ' HD12 ' A' ' 25' ' ' LEU . 71.0 t-105 -56.82 -28.19 61.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -25.8 35.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.4 mt -95.03 20.02 9.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.225 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 22' ' ' TRP . 41.4 mt -99.81 166.61 11.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -101.12 -178.28 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.1 t -67.0 -31.48 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.4 p -68.68 -40.86 79.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.486 ' OE1' HG23 ' A' ' 9' ' ' THR . 3.7 mm100 -74.62 -46.37 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 42.1 mttt -59.3 -26.63 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.05 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -89.84 -31.56 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 mt -73.39 -40.72 64.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 15' ' ' MET . 24.3 t80 -66.9 -25.16 66.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.57 -30.38 27.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.95 -32.12 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 m -83.44 -30.34 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.275 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 29.6 mtp -60.44 -31.04 70.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.35 -31.38 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.34 -31.5 72.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -107.2 43.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -159.58 -55.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -78.63 -30.7 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -99.31 -35.72 9.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt 59.18 31.65 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.0 m -61.82 -18.93 61.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.249 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -70.1 67.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.2 mt -113.61 -33.42 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.212 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.28 -31.54 7.63 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -125.82 129.36 49.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.61 117.89 35.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -138.01 13.93 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.445 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -114.84 -27.54 7.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.904 0.383 . . . . 0.0 111.195 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -119.81 -34.95 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.048 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 62.89 40.76 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.835 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -129.92 126.27 37.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 56' ' ' ILE . 9.1 tp -70.79 124.08 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.68 -176.77 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -156.43 -179.31 8.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.6 t -110.59 53.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.89 88.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.23 -35.34 63.12 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.601 2.2 . . . . 0.0 112.292 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.3 t -71.92 129.93 39.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -133.33 31.38 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.425 -1.208 . . . . 0.0 112.482 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -148.91 77.89 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -120.77 -42.38 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.98 -140.6 3.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.31 87.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -140.11 124.78 18.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.41 166.66 20.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.413 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.18 146.64 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.4 p -67.25 90.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.77 30.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.86 69.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.733 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.56 29.26 6.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 m -98.12 31.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.361 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 96.39 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.98 31.73 6.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.751 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -112.54 62.7 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.75 ' CG ' HD11 ' A' ' 25' ' ' LEU . 46.7 m-85 -73.17 124.92 26.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.8 p -74.64 -174.85 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.83 -45.68 91.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.74 -51.36 68.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.3 mt-10 -64.43 -32.95 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 63.9 t-105 -55.68 -29.28 59.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -25.28 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.071 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.5 mt -95.48 19.98 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.238 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.75 HD11 ' CG ' ' A' ' 17' ' ' PHE . 19.9 mt -103.22 172.43 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.87 172.99 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.1 t -58.84 -28.8 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -70.36 -41.65 72.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -77.43 -31.92 54.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 40.5 mttt -67.54 -38.02 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -82.83 -33.52 27.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.121 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 28' ' ' SER . 15.6 mt -67.8 -42.93 80.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.486 ' O ' HG22 ' A' ' 36' ' ' VAL . 17.5 t80 -66.46 -27.03 67.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.683 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -82.15 -28.14 32.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -56.31 -32.84 65.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.019 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 33' ' ' TYR . 14.2 m -79.6 -29.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.5 mtp -67.61 -34.08 76.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.7 mt -59.69 -36.54 76.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -72.11 -30.42 65.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.4 m -107.2 46.75 0.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -166.76 -44.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -99.34 29.59 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -144.29 23.56 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.9 mt -80.33 -46.69 15.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m 70.73 7.77 6.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.588 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -153.88 90.67 1.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.834 0.349 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 47' ' ' ILE . 2.8 mt -124.56 36.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.52 160.47 25.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.97 89.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.88 113.0 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -115.9 21.29 13.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -129.3 76.83 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -147.04 68.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -84.08 -32.19 24.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.7 t60 59.68 97.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 pt -73.63 131.74 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -59.19 -30.22 68.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -91.22 50.82 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.2 t -97.71 69.97 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.37 -66.03 0.56 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.519 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.01 178.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.721 2.281 . . . . 0.0 112.301 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.5 t -177.01 -50.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.933 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 p -69.92 171.72 8.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.467 -1.185 . . . . 0.0 112.5 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -113.06 -62.7 1.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -84.14 126.24 32.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.48 -176.38 14.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t 63.67 137.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.379 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -80.45 163.84 23.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.45 -146.13 4.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 8' ' ' VAL . 9.3 m -72.58 179.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 61.17 46.72 7.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.81 34.34 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.29 76.7 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -133.78 31.52 3.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -121.71 46.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -96.61 22.32 8.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.09 29.64 4.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -140.67 73.48 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.868 ' CD2' HD11 ' A' ' 25' ' ' LEU . 23.2 m-85 -92.88 127.11 38.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.9 p -79.44 -173.82 3.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.22 -48.09 81.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.89 -51.78 66.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.787 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.9 mt-10 -62.37 -33.44 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.461 ' HA ' HD12 ' A' ' 25' ' ' LEU . 62.5 t-105 -54.86 -29.29 55.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -85.78 -20.79 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -94.57 20.08 8.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.313 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.868 HD11 ' CD2' ' A' ' 17' ' ' PHE . 54.4 mt -114.95 163.38 15.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -91.38 173.22 8.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 t -59.83 -41.14 90.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.614 ' O ' HD12 ' A' ' 32' ' ' LEU . 23.1 t -60.88 -29.97 69.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -80.71 -43.71 19.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.824 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -56.86 -40.27 75.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.048 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -33.78 49.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 28' ' ' SER . 6.5 mt -61.38 -42.52 98.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -72.58 -22.66 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.842 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -87.07 -27.36 23.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.43 -46.8 83.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -59.97 -37.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.3 mmm -63.92 -31.45 72.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.9 -35.48 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -98.12 26.68 5.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.979 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -163.02 33.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -157.42 -45.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -90.26 -31.34 17.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -89.64 -5.52 57.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.357 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.0 mt -57.71 -55.99 27.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.74 0.305 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.4 m 71.76 7.68 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.519 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -160.43 88.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.489 ' O ' HG22 ' A' ' 47' ' ' ILE . 15.5 mt -113.69 37.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.31 -164.16 11.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -98.44 26.16 5.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 49.11 54.02 11.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.193 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -105.13 20.61 18.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -98.78 100.67 11.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -168.81 36.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.0 m170 60.69 173.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.07 130.6 46.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 56' ' ' ILE . 8.2 tp -149.98 116.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -128.77 -66.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.36 95.06 5.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -35.21 77.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 139.16 -144.84 15.86 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.578 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.46 -47.67 23.59 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 t -81.21 125.57 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.84 105.86 3.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.476 -1.18 . . . . 0.0 112.429 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -87.84 170.51 11.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p -120.26 -42.23 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.21 -115.08 5.18 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.86 -47.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.983 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.5 p -171.79 -178.52 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.36 104.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.1 m -125.24 126.3 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.16 103.81 15.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -108.19 -2.39 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.399 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 t0 61.75 91.18 0.06 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.57 31.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 13' ' ' VAL . 17.2 m -122.09 62.78 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -105.03 -21.22 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtp -137.42 30.97 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -113.88 76.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.55 ' CG ' HD11 ' A' ' 25' ' ' LEU . 47.9 m-85 -95.31 109.5 21.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -61.41 -176.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.78 -39.67 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.11 -57.12 12.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 24' ' ' LEU . 20.6 mt-10 -64.69 -35.14 80.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.433 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 64.7 t-105 -52.03 -27.77 14.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.28 -26.73 30.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.6 mt -95.94 20.04 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.213 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.55 HD11 ' CG ' ' A' ' 17' ' ' PHE . 20.6 mt -96.62 177.76 5.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -107.42 -179.62 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 t -66.93 -31.07 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -40.24 45.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 5.9 mm100 -67.35 -46.27 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 22.5 mttt -61.43 -27.09 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -89.56 -37.01 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.016 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.85 -39.84 95.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.98 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -65.34 -28.32 69.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.9 -28.7 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.3 -50.86 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -62.91 -33.5 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mmm -77.45 -17.74 57.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.9 mt -80.43 -31.57 37.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.739 0.304 . . . . 0.0 110.961 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -77.9 -48.58 16.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.803 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.26 62.18 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -176.04 -57.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -69.5 -23.27 63.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -98.19 28.01 4.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.8 mt -107.96 31.58 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -18.73 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -106.61 10.2 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.337 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 47' ' ' ILE . 4.7 mp 47.11 76.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.897 0.38 . . . . 0.0 111.369 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.97 -62.35 0.22 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.559 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.3 t80 61.8 74.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.18 43.54 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -97.08 26.11 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -95.4 39.21 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -75.25 -27.84 59.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -57.27 140.3 50.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -89.33 107.38 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 56' ' ' ILE . 8.9 tp -174.14 112.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.11 -52.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.02 77.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 p -99.2 35.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.74 -168.92 44.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.5 99.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.633 2.222 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.3 p -163.05 -52.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.795 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.3 m 61.14 -177.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.484 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -159.13 -175.53 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t 60.39 89.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.81 -35.29 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.7 167.18 11.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 t -138.46 148.25 44.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.28 85.14 0.42 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.25 115.66 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.475 HG22 ' OD1' ' A' ' 12' ' ' ASP . 25.9 m -103.19 61.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -110.27 -22.62 11.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.116 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -95.36 39.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.475 ' OD1' HG22 ' A' ' 9' ' ' THR . 8.8 p-10 -119.42 -19.83 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 m -111.44 38.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.181 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -83.32 -20.2 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.65 30.21 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -96.2 78.39 3.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.675 ' CG ' HD11 ' A' ' 25' ' ' LEU . 52.1 m-85 -94.42 113.61 25.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.1 p -63.9 -174.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.68 -45.24 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.05 -48.05 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HA ' HD12 ' A' ' 24' ' ' LEU . 9.9 mt-10 -60.28 -31.2 70.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.412 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 66.8 t-105 -56.75 -27.95 60.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -24.2 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.0 mt -94.7 20.03 9.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.675 HD11 ' CG ' ' A' ' 17' ' ' PHE . 28.6 mt -103.89 -178.83 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.12 -179.95 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -67.02 -30.61 70.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 m -73.51 -38.4 65.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -75.3 -37.87 60.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 31.8 mttt -66.42 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -33.55 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.91 -41.29 87.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -68.46 -26.89 65.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.719 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.71 -31.49 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.66 -52.68 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 m -63.05 -31.4 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.043 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.7 mmt -77.58 -37.17 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.16 -31.49 72.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -86.2 -31.21 21.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 46' ' ' ASP . 4.5 m -101.17 49.01 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -164.75 -62.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -70.97 -30.92 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -91.56 -35.65 14.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt 59.03 36.52 24.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.1 m -86.82 5.28 37.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.347 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.467 ' HB3' HG23 ' A' ' 40' ' ' THR . 31.8 t70 -119.9 -3.14 10.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.39 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mp -130.42 -45.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.41 117.32 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 60.61 -168.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 110.819 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -162.04 82.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -111.44 21.54 16.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -112.69 -20.59 11.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.212 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -131.18 91.38 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -107.7 122.63 47.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -158.66 47.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.8 tt -85.33 135.05 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.033 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -106.3 155.37 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -109.16 -29.76 8.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -58.5 95.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.74 79.05 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.417 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.21 -61.65 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.555 2.17 . . . . 0.0 112.266 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.4 166.47 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.08 109.6 2.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.466 -1.186 . . . . 0.0 112.581 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -143.91 -47.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.65 116.82 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.62 -131.78 3.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m 60.3 31.72 20.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -121.1 -42.49 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.07 101.88 2.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.411 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.87 143.08 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -113.25 91.99 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 31.57 2.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -110.09 83.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -146.62 28.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 12' ' ' ASP . 6.0 m -158.98 59.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -59.43 -21.17 59.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.5 ptp -170.1 35.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.43 ' HB2' HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -78.71 75.58 5.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CG ' HD11 ' A' ' 25' ' ' LEU . 72.6 m-85 -71.08 117.84 13.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.2 p -60.7 -177.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.81 -47.1 86.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.28 -47.89 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.5 mt-10 -60.38 -30.95 69.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.462 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.1 t-105 -60.57 -31.73 70.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.15 -26.59 42.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.5 mt -94.79 19.97 9.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.257 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.579 HD11 ' CG ' ' A' ' 17' ' ' PHE . 12.5 mt -98.52 -177.11 3.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.57 -177.33 3.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -69.42 -17.94 63.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.263 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -35.02 27.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.573 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.1 mp0 -83.38 -41.97 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 3.4 tttt -59.34 -30.46 68.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.24 -31.18 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.993 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.55 -42.32 78.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -68.34 -25.14 64.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.93 -30.88 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 38' ' ' LEU . 18.2 mt-10 -60.03 -38.64 83.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -71.22 -30.41 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 55.6 mmm -63.91 -34.29 77.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 35' ' ' GLU . 6.3 mt -60.26 -45.56 92.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -38.34 89.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -99.69 44.92 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -153.83 -49.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -92.74 14.39 17.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -112.17 -27.16 8.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.555 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -105.48 66.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.994 0.426 . . . . 0.0 110.652 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.91 4.9 35.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.448 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.52 57.47 4.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.966 0.412 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 47' ' ' ILE . 2.0 mt -102.28 30.82 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.15 -47.86 2.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.379 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.6 t80 58.7 176.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.803 0.335 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -168.12 81.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -94.44 17.4 13.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -96.05 83.09 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -95.75 41.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -152.81 169.35 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -75.85 145.13 40.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.4 mt -92.06 108.89 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -44.97 75.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.326 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.68 88.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.832 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.0 m -126.31 97.69 5.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.73 -167.04 36.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.17 154.23 11.21 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.552 2.168 . . . . 0.0 112.398 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -142.13 106.19 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 m -124.2 -44.22 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.444 -1.198 . . . . 0.0 112.415 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -130.04 31.91 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -48.15 78.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.36 -159.23 52.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.2 m -116.15 -41.94 3.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -135.05 31.42 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.51 -176.63 2.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.9 -179.25 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.351 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 m 61.76 87.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.74 31.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.13 78.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -151.24 32.32 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.722 HG12 HD21 ' A' ' 16' ' ' ASN . 5.3 m -113.7 72.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -107.51 100.56 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mtt 60.56 43.37 12.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.722 HD21 HG12 ' A' ' 13' ' ' VAL . 17.9 p-10 -117.45 31.7 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.623 ' CG ' HD11 ' A' ' 25' ' ' LEU . 38.5 m-85 -59.73 117.25 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 p -79.27 -177.37 5.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.84 -33.67 67.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.05 -51.53 13.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 24' ' ' LEU . 8.0 mt-10 -61.54 -30.29 70.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.443 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.6 t-105 -58.04 -28.87 64.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.66 -26.68 31.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.0 mt -94.64 20.09 9.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.227 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.623 HD11 ' CG ' ' A' ' 17' ' ' PHE . 17.3 mt -99.88 159.95 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -82.59 178.82 8.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.95 -30.91 67.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.67 -32.65 62.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -72.69 -46.02 55.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 15.8 mttt -60.14 -29.84 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -29.34 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 28' ' ' SER . 9.4 mt -73.06 -38.23 66.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -70.09 -23.34 63.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.58 -28.7 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.35 -37.77 78.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.55 -34.61 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.252 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -46.17 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.79 -30.87 69.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.95 -42.35 69.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -104.87 65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -162.31 -66.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -76.88 -27.36 54.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.981 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -99.12 36.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 44' ' ' LEU . 18.8 mt -94.33 42.04 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -69.59 -12.46 61.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.284 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.5 81.94 2.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.845 0.355 . . . . 0.0 110.75 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 47' ' ' ILE . 18.2 mt -97.06 37.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.021 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.23 -169.41 54.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.456 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -122.98 165.05 17.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.788 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.15 94.77 2.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -139.13 15.13 2.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -77.94 116.9 18.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.81 88.02 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -113.18 38.5 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -89.28 158.99 17.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 56' ' ' ILE . 1.4 tp -94.14 60.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -99.07 -26.34 14.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.098 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 64.37 -79.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.96 79.16 2.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.42 -148.14 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.05 -50.89 12.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.633 2.222 . . . . 0.0 112.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.7 p -79.09 123.92 27.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -139.46 113.1 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.297 -1.279 . . . . 0.0 112.528 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.55 85.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.01 155.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.78 -60.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -68.5 -30.32 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t 61.73 114.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.02 -47.19 4.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.48 120.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -129.24 34.58 4.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.11 30.96 6.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -129.92 99.79 5.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -156.55 29.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 m -143.36 77.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -89.74 -21.21 22.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.2 mmt -110.64 71.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -141.24 75.61 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.82 ' CE2' HD21 ' A' ' 25' ' ' LEU . 38.3 m-85 -88.67 118.41 28.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -62.1 -179.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -43.94 97.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.7 -44.69 85.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.1 -30.87 71.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.45 ' HA ' HD12 ' A' ' 25' ' ' LEU . 62.5 t-105 -59.71 -30.22 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -26.74 43.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.37 20.07 9.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.199 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.82 HD21 ' CE2' ' A' ' 17' ' ' PHE . 16.2 mt -101.77 155.09 18.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.22 175.15 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -36.09 79.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.659 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -68.5 -31.37 70.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.685 ' CB ' HD22 ' A' ' 25' ' ' LEU . 5.8 mm100 -79.86 -41.41 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 42.1 mttt -62.89 -29.23 70.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -40.35 16.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 28' ' ' SER . 7.4 mt -63.84 -38.79 92.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -72.92 -25.59 61.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.906 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.01 -29.36 32.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.51 -43.79 93.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -81.53 -33.01 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.4 mmm -60.96 -30.88 70.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.43 -31.69 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -70.66 -45.08 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -95.44 46.39 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -161.88 -44.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.2 -22.45 52.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -97.4 28.52 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.986 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -118.72 38.19 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 m -59.22 -24.48 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -127.11 1.8 6.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.482 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 47' ' ' ILE . 3.9 mp 45.08 40.33 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-O 120.957 0.408 . . . . 0.0 111.387 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.78 -61.63 3.65 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.56 88.73 1.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.54 97.08 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -96.11 20.95 9.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.479 ' OE1' HD13 ' A' ' 56' ' ' ILE . 31.0 mt-30 -98.76 73.27 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -84.95 68.05 10.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -160.84 29.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 54.56 81.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.078 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -100.8 112.51 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -47.16 21.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.07 100.2 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 p -128.16 119.64 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -150.26 55.98 0.47 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -51.12 -71.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.771 2.314 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -63.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.079 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.0 m -62.03 -178.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.503 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -142.69 -65.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -149.16 -48.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.29 -133.56 10.66 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -149.25 94.4 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 m -111.33 139.02 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.804 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.05 118.26 3.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t 61.97 151.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.095 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.2 m -144.7 77.5 1.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.06 -2.58 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.457 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 51.91 86.64 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -168.07 36.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.5 m -148.64 41.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.49 -20.84 13.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 52.0 mmm -133.29 33.28 3.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.42 78.85 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.635 ' CG ' HD11 ' A' ' 25' ' ' LEU . 64.6 m-85 -91.02 123.36 34.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.7 p -78.98 -175.13 4.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.46 -43.24 99.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -35.67 79.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.23 -30.3 54.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 62.6 t-105 -59.15 -29.99 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -27.65 41.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.67 20.07 10.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.733 HD22 ' CB ' ' A' ' 29' ' ' GLN . 14.1 mt -98.74 174.48 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.41 -172.6 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -73.12 -21.08 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.458 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.9 -33.4 39.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.86 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.733 ' CB ' HD22 ' A' ' 25' ' ' LEU . 3.0 mp0 -84.98 -31.51 23.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 49.8 mttt -71.84 -29.31 64.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -38.24 15.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 28' ' ' SER . 20.0 mt -69.04 -41.79 77.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -68.53 -25.57 65.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -80.58 -28.54 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.45 -52.28 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 m -64.18 -30.69 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.9 mmt -67.15 -31.11 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.62 -51.32 14.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.18 -38.77 88.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.1 m -91.78 50.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -174.88 -60.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -28.89 69.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -98.83 30.54 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 44' ' ' LEU . 18.9 mt -92.1 -31.52 15.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.6 m 71.6 7.47 5.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.526 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -135.0 78.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.01 65.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.6 88.33 1.58 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.56 109.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -118.36 113.56 21.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -139.48 22.0 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -107.55 33.28 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -141.81 125.96 17.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -122.16 -61.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -82.76 175.79 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.526 ' O ' HG23 ' A' ' 56' ' ' ILE . 8.7 tp -75.98 117.23 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.9 151.12 28.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -87.71 -27.84 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t 64.05 84.43 0.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.52 -98.5 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.56 -73.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -60.36 144.2 51.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.962 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 p -93.69 142.3 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.34 -1.256 . . . . 0.0 112.5 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -124.55 -74.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.64 25.94 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.51 15.96 54.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.828 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 49.21 28.51 2.24 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.728 0.299 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 m -117.72 178.65 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.61 -77.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.416 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -125.86 149.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.184 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.49 31.97 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -99.16 31.46 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -122.17 57.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -118.75 -21.02 8.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.3 m -111.47 31.07 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.121 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -99.93 84.27 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.91 56.6 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -93.0 59.19 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.532 ' CD1' HD21 ' A' ' 25' ' ' LEU . 35.8 m-85 -84.5 110.88 19.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -71.49 -177.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -40.92 93.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.73 -46.21 76.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.02 -30.65 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.614 ' HA ' HD12 ' A' ' 25' ' ' LEU . 63.9 t-105 -55.88 -29.52 60.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.98 -27.68 39.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.34 19.97 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.204 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.647 HD22 ' CB ' ' A' ' 29' ' ' GLN . 23.0 mt -95.45 168.15 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -102.46 -177.88 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.56 -30.88 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.673 ' O ' HD12 ' A' ' 32' ' ' LEU . 96.5 p -73.24 -39.41 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.647 ' CB ' HD22 ' A' ' 25' ' ' LEU . 22.4 mm-40 -70.53 -47.64 59.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 3.7 mttt -58.84 -29.16 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.36 -29.9 19.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 28' ' ' SER . 4.6 mt -74.07 -39.54 63.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -70.3 -27.58 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.754 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.05 -30.64 55.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.8 -35.91 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.5 m -81.15 -24.91 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.263 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -3.41 42.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt -103.48 -30.68 10.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.735 0.303 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.29 -46.86 15.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 m -95.62 43.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -156.52 -57.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.74 -31.08 69.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -99.98 30.39 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.61 -58.83 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 -19.18 10.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.226 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -71.84 65.81 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mt -109.03 -30.82 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.13 -97.81 2.24 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -154.8 123.0 5.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -117.87 131.59 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -148.49 22.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -105.76 20.27 19.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.11 35.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.81 0.338 . . . . 0.0 110.989 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.7 m170 52.49 -179.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -104.17 122.3 45.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 56' ' ' ILE . 3.4 tp -63.47 114.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.041 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -115.64 -38.08 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.78 61.9 5.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.87 90.02 3.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.72 108.26 2.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.91 158.07 2.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.524 2.149 . . . . 0.0 112.412 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 t -109.12 48.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.0 p -121.97 32.81 5.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.535 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -139.64 104.98 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.3 -32.88 6.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.25 169.45 41.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.41 31.57 20.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.08 135.57 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.95 -80.64 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.583 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.01 173.06 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -128.69 63.57 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -101.57 33.43 2.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -167.21 156.03 10.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.92 31.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 m -129.16 53.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -109.86 -18.35 13.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.375 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 mtt -88.77 53.21 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.377 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -106.4 34.44 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.501 ' CG ' HD11 ' A' ' 25' ' ' LEU . 65.2 m-85 -68.73 104.82 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.1 p -68.68 -171.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.89 -37.83 80.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -47.59 60.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -66.45 -30.23 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 67.2 t-105 -57.77 -30.11 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.44 -27.29 34.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.31 19.99 9.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 29' ' ' GLN . 13.1 mt -95.45 -179.49 4.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.13 174.15 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.1 m -63.12 -31.83 73.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.636 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -77.9 -31.57 51.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.506 ' CB ' HD22 ' A' ' 25' ' ' LEU . 5.5 mm100 -75.43 -40.28 57.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 38.7 mttt -66.1 -29.35 69.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.76 -33.52 19.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 28' ' ' SER . 4.8 mt -66.91 -41.58 86.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -68.9 -25.87 64.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.03 -29.96 24.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -59.45 -43.11 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.7 -34.15 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -31.8 72.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -78.89 -31.75 45.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.3 -48.89 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 m -101.25 62.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.428 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.2 t80 -176.72 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.809 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.43 29.17 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -146.8 21.89 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 41' ' ' TYR . 4.3 mt -101.45 39.24 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 m -72.79 -12.61 61.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.424 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -130.32 98.95 4.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.83 0.347 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 47' ' ' ILE . 18.6 mt -108.18 33.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.2 -149.97 5.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.633 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 62.55 118.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.56 92.09 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -118.49 -3.55 10.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.317 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.28 -69.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.139 0.495 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.9 t0 60.2 93.06 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -116.3 -66.34 1.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.3 m80 60.22 90.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 56' ' ' ILE . 6.6 tp -97.39 75.38 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.08 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 54.87 -166.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -156.6 126.96 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -159.28 31.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.13 152.21 24.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.456 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.88 -165.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.611 2.207 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m 62.79 -176.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.6 t 68.49 -68.49 0.17 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.471 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 p -125.61 -42.8 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 110.993 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t 63.29 99.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.34 166.19 23.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.441 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -67.26 158.27 31.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.82 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t -107.5 -55.17 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.44 -118.17 0.61 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 t -96.42 144.09 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.16 79.56 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.94 31.24 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.93 31.67 5.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -157.66 38.85 0.28 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 m 40.84 84.67 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.808 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -94.78 108.18 20.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 63.84 31.28 14.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.798 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -116.66 79.5 1.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.689 ' CE2' HD21 ' A' ' 25' ' ' LEU . 56.6 m-85 -87.66 132.51 34.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -80.59 -178.89 6.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -38.95 87.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.797 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.93 -49.88 59.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HA ' HD12 ' A' ' 24' ' ' LEU . 10.2 mt-10 -65.72 -29.22 69.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.538 ' CE3' HD12 ' A' ' 25' ' ' LEU . 63.5 t-105 -57.78 -29.03 64.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -26.82 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -95.16 20.11 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.201 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.921 HD22 ' CB ' ' A' ' 29' ' ' GLN . 14.6 mt -96.77 170.78 8.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -111.24 -176.45 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 m -66.76 -16.12 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.615 ' O ' HD12 ' A' ' 32' ' ' LEU . 10.8 m -89.47 -38.13 14.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.921 ' CB ' HD22 ' A' ' 25' ' ' LEU . 4.7 mp0 -77.26 -31.27 54.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 51.8 mttt -74.73 -29.53 61.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -40.79 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 28' ' ' SER . 4.9 mt -64.14 -40.3 95.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -65.61 -26.83 68.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.89 -30.74 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.34 -52.83 63.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.6 m -64.8 -33.92 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.0 mtm -67.25 -33.2 74.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.799 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 38' ' ' LEU . 13.6 mt -61.96 -35.15 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.47 27.57 4.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 m -160.29 32.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.732 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -155.93 -40.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.41 35.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -159.8 -44.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.671 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.9 mt 58.16 88.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.079 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.92 -21.37 54.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -149.16 100.8 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.804 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -92.07 -36.82 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.93 -171.34 22.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -173.68 114.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.95 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.71 94.15 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -96.26 21.06 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.452 ' HB3' ' CD2' ' A' ' 54' ' ' HIS . 1.6 mt-30 -95.87 -35.4 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.32 -78.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.155 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.452 ' CD2' ' HB3' ' A' ' 52' ' ' GLN . 73.8 m-70 63.14 129.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -169.06 81.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 56' ' ' ILE . 2.2 tt -69.29 117.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -125.77 -41.1 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.7 92.79 0.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.61 63.12 7.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.44 150.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.16 -61.89 0.41 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.595 2.197 . . . . 0.0 112.308 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -114.17 96.49 5.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.83 -31.43 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.517 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -100.82 170.26 8.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 p -168.46 -70.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.0 103.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -154.83 179.95 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.9 p -160.02 137.08 9.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.16 53.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.443 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.6 m -147.21 152.51 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.768 0.318 . . . . 0.0 111.224 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.05 89.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.42 -30.38 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -122.85 43.02 3.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -171.2 88.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.756 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.492 ' HB ' ' ND2' ' A' ' 16' ' ' ASN . 35.9 m -139.78 15.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.549 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 49.82 -93.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.417 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.7 mmt -145.92 52.21 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.397 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.492 ' ND2' ' HB ' ' A' ' 13' ' ' VAL . 0.6 OUTLIER -136.44 44.52 2.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.614 ' CG ' HD11 ' A' ' 25' ' ' LEU . 91.9 m-85 -59.48 145.82 42.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.2 p -95.56 -174.86 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -43.74 97.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.25 -52.98 34.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.648 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -59.55 -29.89 68.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.6 t-105 -56.89 -29.55 63.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.42 -23.63 34.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -94.51 20.02 8.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.226 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.614 HD11 ' CG ' ' A' ' 17' ' ' PHE . 43.0 mt -104.4 179.88 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -111.96 -179.27 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 m -66.16 -30.98 71.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -42.26 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -70.35 -39.51 74.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 44.3 mttt -66.26 -29.33 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -86.37 -35.76 19.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.19 -35.83 80.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.461 ' O ' HG22 ' A' ' 36' ' ' VAL . 28.8 t80 -72.83 -23.69 60.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -84.55 -30.4 25.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.36 -31.25 69.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 33' ' ' TYR . 17.0 m -79.16 -30.83 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.1 mtp -76.62 -34.24 58.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.6 mt -74.86 -32.72 61.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.56 -31.32 59.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 m -98.18 44.38 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.85 -45.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -98.61 31.22 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -150.29 26.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.975 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.03 -41.26 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.4 m 70.66 7.92 6.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.576 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -172.17 98.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mt -93.96 -58.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.5 56.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -151.5 140.38 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -135.93 117.09 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -143.37 23.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -133.84 64.27 1.61 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 110.786 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' HIS . 4.9 t70 -159.28 41.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.737 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 75.3 m-70 -161.06 -39.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.106 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 76.98 111.27 0.07 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 56' ' ' ILE . 17.8 tt -70.74 123.66 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.204 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -110.52 -30.82 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.3 111.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -153.69 126.48 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.79 -84.86 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.571 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.09 153.45 12.45 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.625 2.217 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 p -123.79 36.57 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -165.99 121.82 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.473 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.43 80.86 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -71.41 167.78 18.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.1 157.14 27.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -77.14 103.89 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -102.01 106.96 17.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.37 -44.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m -101.83 152.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -145.96 84.74 1.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.9 30.71 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.08 34.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -123.16 -2.45 8.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 13' ' ' VAL . 21.7 m -137.4 91.73 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 111.16 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -96.63 32.26 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 mmt -125.99 40.42 3.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.788 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -107.96 36.04 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.442 ' CG ' HD11 ' A' ' 25' ' ' LEU . 48.6 m-85 -60.19 118.06 5.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.4 p -74.72 -173.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.15 83.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.38 -55.19 37.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.9 mt-10 -60.36 -32.28 71.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.451 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.6 t-105 -56.03 -30.87 62.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -80.33 -24.59 39.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -97.9 20.0 12.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.274 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 25' ' ' LEU . 15.3 mt -94.84 -179.74 4.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.862 0.363 . . . . 0.0 110.819 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -112.32 179.12 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.1 m -65.69 -31.05 71.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.529 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -73.29 -39.43 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -72.53 -45.51 58.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 20.3 mttt -60.08 -28.46 67.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -86.96 -46.23 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 28' ' ' SER . 4.9 mt -60.38 -37.96 82.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 37' ' ' MET . 22.2 t80 -70.44 -27.0 63.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.809 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.85 -29.89 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -59.64 -52.85 63.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -71.51 -34.5 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.431 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.8 mmm -62.98 -36.05 82.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.33 -39.19 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.21 -31.91 73.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.51 43.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.617 ' O ' HD11 ' A' ' 47' ' ' ILE . 1.8 t80 -161.13 -44.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -27.06 37.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -98.05 30.42 3.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.0 mt -89.67 -35.57 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.9 m 71.41 7.58 6.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.575 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.54 79.44 1.39 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.617 HD11 ' O ' ' A' ' 41' ' ' TYR . 18.6 mt -122.62 34.16 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.02 124.26 32.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.539 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.6 131.75 49.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.71 87.93 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -124.08 16.82 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.232 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.96 77.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 111.001 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -132.96 30.54 3.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.2 m80 59.37 -178.59 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 86.95 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.582 HD13 ' C ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -63.47 118.0 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.993 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.517 ' N ' HD13 ' A' ' 56' ' ' ILE . 8.4 mt-10 -116.64 -57.47 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 69.39 -66.05 0.27 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -28.56 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.089 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.67 73.53 0.43 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.572 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.44 90.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.645 2.23 . . . . 0.0 112.239 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.68 94.87 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 m -174.25 100.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.451 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -55.83 -48.47 75.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -63.12 -50.87 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.763 ' HA ' HD12 ' A' ' 24' ' ' LEU . 7.7 mt-10 -59.87 -36.57 77.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.424 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 67.3 t-105 -50.59 -27.2 6.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.247 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.33 -21.13 31.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.258 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.3 mt -97.05 20.12 11.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.348 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.406 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 95.7 mt -105.47 -178.77 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.998 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.18 -175.28 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -70.19 -30.74 67.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 32' ' ' LEU . 24.4 m -72.51 -46.48 54.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 1.5 mm100 -66.55 -44.17 83.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.749 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 23.1 mttt -59.26 -29.58 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.003 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -90.25 -30.79 17.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 28' ' ' SER . 4.4 mt -67.55 -38.57 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -71.17 -26.42 62.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.759 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.14 -28.7 22.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.768 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.979 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.57 -42.32 87.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.08 -51.7 55.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 24' ' ' LEU . 4.6 mt-10 -60.64 -30.81 70.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.42 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 67.9 t-105 -57.17 -29.96 64.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.56 -26.04 26.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.0 mt -94.78 20.02 9.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.211 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.1 mt -94.51 -177.44 4.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.33 165.28 11.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -59.16 -29.92 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.488 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.5 t -79.56 -36.27 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.415 HE21 HD22 ' A' ' 25' ' ' LEU . 4.8 mm100 -66.8 -46.27 75.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 23.6 mttt -59.32 -29.83 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -31.14 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 28' ' ' SER . 4.3 mt -68.9 -47.34 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -65.65 -29.18 69.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.762 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.05 -30.08 28.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.991 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.832 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -58.16 -33.63 69.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -75.9 -51.32 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -60.49 -30.47 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.731 ' HA ' HD12 ' A' ' 25' ' ' LEU . 70.5 t-105 -57.3 -28.02 62.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -80.8 -28.89 36.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -95.74 20.06 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 22' ' ' TRP . 18.1 mt -91.46 175.74 6.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -106.05 170.61 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -60.84 -32.52 71.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.59 -36.37 63.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.543 ' CB ' HD22 ' A' ' 25' ' ' LEU . 7.5 mm100 -68.65 -44.0 75.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 9.2 mttt -60.15 -30.55 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -85.72 -39.68 16.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.26 -37.95 86.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -72.59 -24.25 61.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -86.56 -28.31 23.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.6 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.73 0.3 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -61.74 -35.89 79.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.44 -43.11 64.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.8 mt-10 -72.72 -37.28 67.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.751 ' HA ' HD12 ' A' ' 25' ' ' LEU . 68.6 t-105 -53.68 -27.26 26.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.3 -24.67 32.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.9 mt -95.23 20.02 9.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.344 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 22' ' ' TRP . 64.4 mt -102.86 166.79 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.986 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.16 -178.11 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 m -67.84 -33.65 75.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' HD12 ' A' ' 32' ' ' LEU . 60.4 m -67.26 -43.01 82.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -68.51 -47.27 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 20.6 mttt -57.41 -28.83 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.27 -34.79 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 28' ' ' SER . 3.2 mt -67.11 -45.49 77.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.421 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -64.52 -28.47 69.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.765 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.26 -29.81 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.787 0.327 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.44 -40.71 87.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.11 -61.37 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.0 -30.55 69.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.435 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 65.1 t-105 -55.87 -28.68 57.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.61 -24.88 38.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.84 20.09 18.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.212 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 25' ' ' LEU . 13.1 mt -94.45 163.53 13.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.96 171.67 8.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -31.11 71.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.692 ' O ' HD12 ' A' ' 32' ' ' LEU . 3.1 m -73.67 -33.39 64.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -75.66 -36.26 60.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 37.8 mttt -67.85 -27.56 66.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -88.89 -38.25 14.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 28' ' ' SER . 3.6 mt -66.32 -40.65 90.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -70.17 -27.05 64.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.769 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -81.24 -29.63 34.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.72 -42.53 90.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.61 -52.61 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.67 ' HA ' HD12 ' A' ' 24' ' ' LEU . 9.5 mt-10 -59.2 -36.97 76.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.453 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.4 t-105 -50.1 -27.11 5.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.32 -20.86 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.6 mt -95.39 20.05 9.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.427 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.1 mt -107.32 -179.95 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -107.83 -176.35 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -68.75 -34.95 76.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -45.39 83.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.04 -44.17 80.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 22.0 mttt -59.88 -30.01 68.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -86.53 -33.18 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.33 -46.93 65.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.001 0.429 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -64.86 -29.97 70.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.732 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.26 -31.14 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.841 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.39 -43.48 92.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.54 -49.14 70.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 24' ' ' LEU . 5.2 mt-10 -67.49 -35.23 78.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.736 ' HA ' HD12 ' A' ' 25' ' ' LEU . 71.0 t-105 -56.82 -28.19 61.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -25.8 35.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.4 mt -95.03 20.02 9.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.225 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 22' ' ' TRP . 41.4 mt -99.81 166.61 11.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -101.12 -178.28 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.1 t -67.0 -31.48 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.4 p -68.68 -40.86 79.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.484 ' CB ' HD22 ' A' ' 25' ' ' LEU . 3.7 mm100 -74.62 -46.37 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 42.1 mttt -59.3 -26.63 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.05 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -89.84 -31.56 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 mt -73.39 -40.72 64.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -66.9 -25.16 66.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.57 -30.38 27.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.998 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.83 -45.68 91.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.74 -51.36 68.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.3 mt-10 -64.43 -32.95 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 63.9 t-105 -55.68 -29.28 59.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -25.28 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.071 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.5 mt -95.48 19.98 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.238 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 25' ' ' LEU . 19.9 mt -103.22 172.43 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.87 172.99 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.1 t -58.84 -28.8 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -70.36 -41.65 72.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -77.43 -31.92 54.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 40.5 mttt -67.54 -38.02 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -82.83 -33.52 27.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.121 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 28' ' ' SER . 15.6 mt -67.8 -42.93 80.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -66.46 -27.03 67.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.683 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -82.15 -28.14 32.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.019 -179.84 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.835 0.35 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.22 -48.09 81.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.89 -51.78 66.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.787 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.9 mt-10 -62.37 -33.44 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.461 ' HA ' HD12 ' A' ' 25' ' ' LEU . 62.5 t-105 -54.86 -29.29 55.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -85.78 -20.79 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -94.57 20.08 8.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.313 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 22' ' ' TRP . 54.4 mt -114.95 163.38 15.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -91.38 173.22 8.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 t -59.83 -41.14 90.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.614 ' O ' HD12 ' A' ' 32' ' ' LEU . 23.1 t -60.88 -29.97 69.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -80.71 -43.71 19.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.824 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -56.86 -40.27 75.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.048 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -33.78 49.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 28' ' ' SER . 6.5 mt -61.38 -42.52 98.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -72.58 -22.66 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.842 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -87.07 -27.36 23.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.024 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.778 0.323 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.78 -39.67 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.11 -57.12 12.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 24' ' ' LEU . 20.6 mt-10 -64.69 -35.14 80.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.433 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 64.7 t-105 -52.03 -27.77 14.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.28 -26.73 30.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.6 mt -95.94 20.04 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.213 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 29' ' ' GLN . 20.6 mt -96.62 177.76 5.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -107.42 -179.62 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 t -66.93 -31.07 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -40.24 45.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.407 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 5.9 mm100 -67.35 -46.27 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 22.5 mttt -61.43 -27.09 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -89.56 -37.01 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.016 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.85 -39.84 95.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.98 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -65.34 -28.32 69.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.9 -28.7 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.339 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.68 -45.24 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.05 -48.05 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HA ' HD12 ' A' ' 24' ' ' LEU . 9.9 mt-10 -60.28 -31.2 70.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.412 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 66.8 t-105 -56.75 -27.95 60.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -24.2 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.0 mt -94.7 20.03 9.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.6 mt -103.89 -178.83 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.12 -179.95 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -67.02 -30.61 70.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 m -73.51 -38.4 65.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -75.3 -37.87 60.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 31.8 mttt -66.42 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -33.55 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.91 -41.29 87.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -68.46 -26.89 65.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.719 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.71 -31.49 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.952 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.2 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.817 0.341 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.81 -47.1 86.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.28 -47.89 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.5 mt-10 -60.38 -30.95 69.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.462 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.1 t-105 -60.57 -31.73 70.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.15 -26.59 42.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.5 mt -94.79 19.97 9.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.257 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.573 HD22 ' CB ' ' A' ' 29' ' ' GLN . 12.5 mt -98.52 -177.11 3.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.57 -177.33 3.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -69.42 -17.94 63.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.263 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -35.02 27.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.573 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.1 mp0 -83.38 -41.97 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 3.4 tttt -59.34 -30.46 68.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.24 -31.18 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.993 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.55 -42.32 78.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -68.34 -25.14 64.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.93 -30.88 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.84 -33.67 67.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.05 -51.53 13.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 24' ' ' LEU . 8.0 mt-10 -61.54 -30.29 70.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.443 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.6 t-105 -58.04 -28.87 64.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.66 -26.68 31.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.0 mt -94.64 20.09 9.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.227 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.3 mt -99.88 159.95 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -82.59 178.82 8.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.95 -30.91 67.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.67 -32.65 62.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -72.69 -46.02 55.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 15.8 mttt -60.14 -29.84 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -29.34 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 28' ' ' SER . 9.4 mt -73.06 -38.23 66.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -70.09 -23.34 63.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.58 -28.7 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -43.94 97.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.7 -44.69 85.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.1 -30.87 71.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.45 ' HA ' HD12 ' A' ' 25' ' ' LEU . 62.5 t-105 -59.71 -30.22 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -26.74 43.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.37 20.07 9.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.199 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.685 HD22 ' CB ' ' A' ' 29' ' ' GLN . 16.2 mt -101.77 155.09 18.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.22 175.15 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -36.09 79.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.659 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -68.5 -31.37 70.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.685 ' CB ' HD22 ' A' ' 25' ' ' LEU . 5.8 mm100 -79.86 -41.41 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 42.1 mttt -62.89 -29.23 70.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -40.35 16.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 28' ' ' SER . 7.4 mt -63.84 -38.79 92.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -72.92 -25.59 61.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.906 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.01 -29.36 32.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.46 -43.24 99.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -35.67 79.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.23 -30.3 54.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 62.6 t-105 -59.15 -29.99 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -27.65 41.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.67 20.07 10.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.733 HD22 ' CB ' ' A' ' 29' ' ' GLN . 14.1 mt -98.74 174.48 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.41 -172.6 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -73.12 -21.08 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.458 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.9 -33.4 39.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.86 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.733 ' CB ' HD22 ' A' ' 25' ' ' LEU . 3.0 mp0 -84.98 -31.51 23.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 49.8 mttt -71.84 -29.31 64.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -38.24 15.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 28' ' ' SER . 20.0 mt -69.04 -41.79 77.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -68.53 -25.57 65.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -80.58 -28.54 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.844 0.354 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -40.92 93.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.73 -46.21 76.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.02 -30.65 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.614 ' HA ' HD12 ' A' ' 25' ' ' LEU . 63.9 t-105 -55.88 -29.52 60.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.98 -27.68 39.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.34 19.97 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.204 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.647 HD22 ' CB ' ' A' ' 29' ' ' GLN . 23.0 mt -95.45 168.15 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -102.46 -177.88 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.56 -30.88 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.673 ' O ' HD12 ' A' ' 32' ' ' LEU . 96.5 p -73.24 -39.41 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.647 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.5 mm100 -70.53 -47.64 59.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 3.7 mttt -58.84 -29.16 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.36 -29.9 19.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 28' ' ' SER . 4.6 mt -74.07 -39.54 63.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -70.3 -27.58 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.754 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.05 -30.64 55.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.1 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.785 0.326 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.89 -37.83 80.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -47.59 60.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -66.45 -30.23 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 67.2 t-105 -57.77 -30.11 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.44 -27.29 34.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.31 19.99 9.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 29' ' ' GLN . 13.1 mt -95.45 -179.49 4.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.13 174.15 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.1 m -63.12 -31.83 73.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.636 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -77.9 -31.57 51.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.506 ' CB ' HD22 ' A' ' 25' ' ' LEU . 5.5 mm100 -75.43 -40.28 57.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 38.7 mttt -66.1 -29.35 69.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.76 -33.52 19.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 28' ' ' SER . 4.8 mt -66.91 -41.58 86.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -68.9 -25.87 64.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.03 -29.96 24.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.851 0.357 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -38.95 87.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.797 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.93 -49.88 59.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HA ' HD12 ' A' ' 24' ' ' LEU . 10.2 mt-10 -65.72 -29.22 69.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.538 ' CE3' HD12 ' A' ' 25' ' ' LEU . 63.5 t-105 -57.78 -29.03 64.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -26.82 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -95.16 20.11 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.201 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.921 HD22 ' CB ' ' A' ' 29' ' ' GLN . 14.6 mt -96.77 170.78 8.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -111.24 -176.45 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 m -66.76 -16.12 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.615 ' O ' HD12 ' A' ' 32' ' ' LEU . 10.8 m -89.47 -38.13 14.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.921 ' CB ' HD22 ' A' ' 25' ' ' LEU . 4.7 mp0 -77.26 -31.27 54.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 51.8 mttt -74.73 -29.53 61.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -40.79 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 28' ' ' SER . 4.9 mt -64.14 -40.3 95.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -65.61 -26.83 68.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.89 -30.74 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.2 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -43.74 97.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.25 -52.98 34.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.648 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -59.55 -29.89 68.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.6 t-105 -56.89 -29.55 63.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.42 -23.63 34.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -94.51 20.02 8.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.226 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 22' ' ' TRP . 43.0 mt -104.4 179.88 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -111.96 -179.27 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 m -66.16 -30.98 71.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -42.26 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -70.35 -39.51 74.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 44.3 mttt -66.26 -29.33 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -86.37 -35.76 19.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.19 -35.83 80.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -72.83 -23.69 60.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -84.55 -30.4 25.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.15 83.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.38 -55.19 37.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.9 mt-10 -60.36 -32.28 71.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.451 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.6 t-105 -56.03 -30.87 62.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -80.33 -24.59 39.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -97.9 20.0 12.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.274 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 25' ' ' LEU . 15.3 mt -94.84 -179.74 4.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.862 0.363 . . . . 0.0 110.819 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -112.32 179.12 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.1 m -65.69 -31.05 71.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.529 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -73.29 -39.43 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -72.53 -45.51 58.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 20.3 mttt -60.08 -28.46 67.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -86.96 -46.23 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 28' ' ' SER . 4.9 mt -60.38 -37.96 82.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -70.44 -27.0 63.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.809 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.85 -29.89 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 -179.877 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.59 -55.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -116.9 -67.46 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.76 -107.45 0.94 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 p -176.48 127.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.76 31.88 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.3 -80.9 0.33 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.397 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.575 HG12 ' O ' ' A' ' 8' ' ' VAL . 24.0 t 62.23 44.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.97 0.414 . . . . 0.0 111.015 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 p -88.89 83.69 6.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -33.5 74.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.14 41.25 17.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -138.0 31.21 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.5 m -135.94 54.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.064 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -98.51 31.1 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.37 30.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.73 69.29 9.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.636 ' CG ' HD11 ' A' ' 25' ' ' LEU . 30.6 m-85 -83.41 123.78 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.8 p -81.67 -176.97 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -55.83 -48.47 75.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -63.12 -50.87 68.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.763 ' HA ' HD12 ' A' ' 24' ' ' LEU . 7.7 mt-10 -59.87 -36.57 77.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.424 ' CE2' ' HG2' ' A' ' 30' ' ' LYS . 67.3 t-105 -50.59 -27.2 6.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.247 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.33 -21.13 31.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.258 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.3 mt -97.05 20.12 11.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.348 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.636 HD11 ' CG ' ' A' ' 17' ' ' PHE . 95.7 mt -105.47 -178.77 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.998 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.18 -175.28 2.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.6 m -70.19 -30.74 67.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 32' ' ' LEU . 24.4 m -72.51 -46.48 54.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 1.5 mm100 -66.55 -44.17 83.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.749 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' HG2' ' CE2' ' A' ' 22' ' ' TRP . 23.1 mttt -59.26 -29.58 67.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.003 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -90.25 -30.79 17.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 28' ' ' SER . 4.4 mt -67.55 -38.57 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -71.17 -26.42 62.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.759 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -87.14 -28.7 22.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.768 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.8 -32.52 69.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.979 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.8 m -85.51 -31.29 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.2 mtp -70.44 -55.66 8.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.34 -30.39 68.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.9 -40.89 65.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.5 m -114.61 70.01 0.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -178.53 -50.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -98.32 -25.53 14.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -95.22 45.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.006 0.431 . . . . 0.0 110.782 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.4 mt -122.54 69.63 0.97 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 45' ' ' THR . 30.0 m -108.6 7.15 26.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.39 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -105.74 42.78 1.2 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.9 0.381 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mt -77.89 -32.47 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.41 -159.05 14.82 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.26 -176.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -159.21 101.35 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -131.34 22.4 4.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -82.39 85.63 6.86 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -135.18 109.48 8.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -106.74 156.55 18.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -135.98 131.63 35.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.511 HG22 ' HG2' ' A' ' 58' ' ' GLU . 8.0 mt -108.98 125.45 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -34.29 43.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.511 ' HG2' HG22 ' A' ' 56' ' ' ILE . 7.3 mt-10 60.34 107.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 t -154.28 111.19 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.97 86.09 0.41 Allowed Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.22 161.27 2.7 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.63 2.22 . . . . 0.0 112.298 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.75 31.67 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.6 p -78.13 163.97 25.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.465 -1.186 . . . . 0.0 112.547 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.3 p -163.17 122.25 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.321 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -165.0 -178.53 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.3 -131.05 10.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -124.53 31.8 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.342 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.72 154.92 40.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.66 125.71 1.92 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.2 m -66.46 87.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.816 0.341 . . . . 0.0 111.11 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.2 m -68.61 80.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.56 33.93 5.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.8 t0 60.17 73.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.19 30.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 13' ' ' VAL . 13.4 m -148.31 72.09 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -108.06 31.58 5.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 56.3 mmm -136.7 31.29 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -97.81 41.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.467 ' CG ' HD11 ' A' ' 25' ' ' LEU . 32.4 m-85 -61.33 117.17 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -71.21 -177.0 1.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -58.57 -42.32 87.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.08 -51.7 55.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 24' ' ' LEU . 4.6 mt-10 -60.64 -30.81 70.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.42 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 67.9 t-105 -57.17 -29.96 64.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -85.56 -26.04 26.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.0 mt -94.78 20.02 9.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.211 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.467 HD11 ' CG ' ' A' ' 17' ' ' PHE . 12.1 mt -94.51 -177.44 4.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.33 165.28 11.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -59.16 -29.92 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.488 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.5 t -79.56 -36.27 38.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.415 HE21 HD22 ' A' ' 25' ' ' LEU . 4.8 mm100 -66.8 -46.27 75.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 23.6 mttt -59.32 -29.83 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -31.14 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 28' ' ' SER . 4.3 mt -68.9 -47.34 66.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -65.65 -29.18 69.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.762 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.05 -30.08 28.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.23 -30.79 66.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.69 -30.87 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 mtp -68.02 -31.4 71.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.2 mt -72.82 -47.94 42.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -31.17 72.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.09 42.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -169.74 -63.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -58.17 -31.97 67.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -86.06 -22.1 27.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.073 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.74 49.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 m -77.77 -8.6 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.333 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t0 64.62 74.3 0.4 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.875 0.369 . . . . 0.0 110.805 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.533 ' O ' HG22 ' A' ' 47' ' ' ILE . 20.3 mt -97.82 34.73 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.27 129.66 3.69 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 60.96 110.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.87 118.52 32.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -125.59 22.7 7.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -111.57 38.29 2.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -153.39 60.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -110.82 -30.3 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -67.69 74.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 pt -105.06 94.55 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.1 -57.07 14.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -141.29 -67.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 m 60.62 34.97 20.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.93 94.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.389 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.27 163.47 0.62 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.545 2.163 . . . . 0.0 112.387 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t 61.26 -178.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -143.06 154.77 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.493 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 p -71.44 137.6 48.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.727 0.299 . . . . 0.0 110.951 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -148.42 -47.87 0.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.98 36.63 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -121.45 -178.94 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m 60.3 177.7 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.27 90.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.7 m -106.24 174.42 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.368 . . . . 0.0 111.067 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 9' ' ' THR . 8.4 m -151.7 31.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -28.99 69.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 62.86 118.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -144.98 33.51 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 m -146.87 96.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -81.24 99.78 8.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.806 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtp 60.95 37.36 18.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.61 39.44 2.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.667 ' CD1' HD21 ' A' ' 25' ' ' LEU . 28.9 m-85 -59.25 107.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 p -69.27 -178.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -58.16 -33.63 69.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -75.9 -51.32 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -60.49 -30.47 69.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.731 ' HA ' HD12 ' A' ' 25' ' ' LEU . 70.5 t-105 -57.3 -28.02 62.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -80.8 -28.89 36.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -95.74 20.06 10.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.139 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 22' ' ' TRP . 18.1 mt -91.46 175.74 6.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 110.824 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -106.05 170.61 7.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -60.84 -32.52 71.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.59 -36.37 63.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.543 ' CB ' HD22 ' A' ' 25' ' ' LEU . 7.5 mm100 -68.65 -44.0 75.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 9.2 mttt -60.15 -30.55 69.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -85.72 -39.68 16.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.8 mt -66.26 -37.95 86.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -72.59 -24.25 61.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.943 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -86.56 -28.31 23.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.66 ' HA ' HD12 ' A' ' 38' ' ' LEU . 36.6 mm-40 -57.47 -46.97 83.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.05 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.06 -30.31 27.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -29.92 71.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 35' ' ' GLU . 6.2 mt -58.33 -44.25 88.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.97 -30.93 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 m -103.97 46.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -166.56 -48.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.429 HE22 HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -75.08 -30.67 61.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -90.32 -37.65 13.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 mt 58.67 84.92 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -107.76 -4.57 17.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.398 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 t70 62.27 26.03 15.58 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.738 0.304 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' ' 47' ' ' ILE . 2.4 mt 44.95 39.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.993 0.425 . . . . 0.0 111.468 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.09 -120.48 21.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.537 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -148.39 137.13 21.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.757 0.313 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -106.94 97.16 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -108.61 21.48 17.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -117.21 51.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.956 0.408 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -98.17 28.04 4.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -111.11 -178.19 3.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.775 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -111.79 84.61 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.635 ' O ' HG23 ' A' ' 56' ' ' ILE . 7.8 tp -150.75 98.83 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -95.83 -30.5 13.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 65.28 -74.91 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.06 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 m -61.26 92.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.94 76.05 0.37 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.535 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.55 -173.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.597 2.198 . . . . 0.0 112.357 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.62 151.95 17.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.2 -34.83 73.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.459 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -148.62 36.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m 60.82 94.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.61 51.83 1.19 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.2 30.16 19.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -164.51 107.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.23 -169.86 26.19 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.1 m -131.23 92.25 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.829 0.347 . . . . 0.0 111.095 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.3 m -140.91 94.78 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -149.04 30.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 t70 60.31 92.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -147.13 33.96 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 13' ' ' VAL . 15.6 m -142.8 89.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -139.98 38.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -142.7 42.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -124.19 82.18 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.676 ' CG ' HD11 ' A' ' 25' ' ' LEU . 36.6 m-85 -92.8 117.03 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.6 p -68.79 -178.06 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -61.74 -35.89 79.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.44 -43.11 64.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.8 mt-10 -72.72 -37.28 67.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.751 ' HA ' HD12 ' A' ' 25' ' ' LEU . 68.6 t-105 -53.68 -27.26 26.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.3 -24.67 32.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.9 mt -95.23 20.02 9.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.344 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 22' ' ' TRP . 64.4 mt -102.86 166.79 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.986 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -98.16 -178.11 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 m -67.84 -33.65 75.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' HD12 ' A' ' 32' ' ' LEU . 60.4 m -67.26 -43.01 82.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -68.51 -47.27 67.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 20.6 mttt -57.41 -28.83 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.27 -34.79 20.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 28' ' ' SER . 3.2 mt -67.11 -45.49 77.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.983 0.421 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -64.52 -28.47 69.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.765 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.26 -29.81 34.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.3 -31.56 67.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.4 m -89.2 -30.85 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.06 -34.48 77.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.88 -31.49 69.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -100.94 27.8 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 40' ' ' THR . 7.0 m -151.35 31.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.11 -50.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.807 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.58 -23.12 40.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.72 5.81 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.545 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -97.9 37.03 1.45 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.844 0.354 . . . . 0.0 110.807 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 45' ' ' THR . 8.5 m -87.91 6.77 34.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.407 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.77 71.11 0.74 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.902 0.382 . . . . 0.0 110.827 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.563 ' O ' HG22 ' A' ' 47' ' ' ILE . 16.9 mt -111.07 36.68 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.1 -66.86 1.99 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.486 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -112.84 126.61 55.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.834 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.25 91.38 6.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -128.4 23.04 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -101.8 32.26 3.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -91.79 98.71 11.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -99.52 94.06 6.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.4 36.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.0 tt -98.06 37.22 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 64.88 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.975 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -138.92 109.82 6.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -91.41 60.98 4.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.801 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 176.21 -133.33 2.3 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.391 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.67 132.8 37.26 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.454 2.103 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 p -134.22 141.06 46.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.0 p -78.63 173.33 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.505 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -162.13 31.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.794 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -85.3 -175.78 5.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.87 -140.44 4.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 p -175.98 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -136.77 -177.14 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.25 118.25 2.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.8 t 63.82 139.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.62 94.88 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.76 31.2 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.01 48.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.47 38.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.37 79.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.069 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -112.19 -19.62 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.291 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.25 55.48 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.033 0.444 . . . . 0.0 110.861 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -118.03 82.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.601 ' CG ' HD11 ' A' ' 25' ' ' LEU . 94.9 m-85 -91.43 116.99 29.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 p -68.37 179.23 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.44 -40.71 87.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.11 -61.37 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.0 -30.55 69.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.435 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 65.1 t-105 -55.87 -28.68 57.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.61 -24.88 38.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.84 20.09 18.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.212 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD11 ' CG ' ' A' ' 17' ' ' PHE . 13.1 mt -94.45 163.53 13.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -92.96 171.67 8.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.68 -31.11 71.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.692 ' O ' HD12 ' A' ' 32' ' ' LEU . 3.1 m -73.67 -33.39 64.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -75.66 -36.26 60.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 37.8 mttt -67.85 -27.56 66.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.006 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -88.89 -38.25 14.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 28' ' ' SER . 3.6 mt -66.32 -40.65 90.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.018 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -70.17 -27.05 64.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.769 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -81.24 -29.63 34.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.15 -53.27 60.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.6 m -59.4 -30.68 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.7 mmt -70.09 -17.32 63.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.4 mt -77.09 -49.89 14.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.752 0.311 . . . . 0.0 111.005 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.11 -46.7 88.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.957 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.25 54.05 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -178.4 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -60.39 -28.07 67.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -83.64 -26.51 29.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD13 ' HB ' ' A' ' 47' ' ' ILE . 16.0 mt -69.15 -66.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.824 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.0 m 74.92 3.95 4.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.613 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -179.63 34.27 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.713 0.292 . . . . 0.0 111.236 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.777 ' HB ' HD13 ' A' ' 44' ' ' LEU . 7.6 mt -143.25 28.33 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.1 -167.43 38.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.72 167.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.811 0.339 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -165.14 90.71 0.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 48.4 p-90 -114.58 23.21 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -124.74 73.75 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -87.25 120.9 29.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.6 m170 -65.17 -40.0 93.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.47 132.41 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.39 129.14 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.4 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -86.3 117.42 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 p -178.34 38.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -132.33 146.52 18.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.597 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.58 149.44 31.4 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.556 2.171 . . . . 0.0 112.276 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t -114.43 100.66 8.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 m 61.84 149.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.498 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.114 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.63 -178.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t 60.69 175.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.39 -28.52 8.59 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.469 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -163.42 112.07 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 t -148.54 -66.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.21 83.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.28 133.81 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.53 92.96 5.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -134.63 30.36 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -166.05 97.49 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.788 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -127.82 29.77 5.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 m -119.07 31.0 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.67 102.01 14.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.409 ' HE2' ' HA ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER 64.74 36.2 8.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -112.79 89.91 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.799 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.517 ' CG ' HD11 ' A' ' 25' ' ' LEU . 79.7 m-85 -97.12 127.24 42.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.46 -176.93 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -65.72 -42.53 90.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.61 -52.61 56.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.67 ' HA ' HD12 ' A' ' 24' ' ' LEU . 9.5 mt-10 -59.2 -36.97 76.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.453 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.4 t-105 -50.1 -27.11 5.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.327 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.32 -20.86 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.6 mt -95.39 20.05 9.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.427 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.517 HD11 ' CG ' ' A' ' 17' ' ' PHE . 76.1 mt -107.32 -179.95 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -107.83 -176.35 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -68.75 -34.95 76.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -45.39 83.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -67.04 -44.17 80.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.825 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 22.0 mttt -59.88 -30.01 68.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -86.53 -33.18 20.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mt -69.33 -46.93 65.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.001 0.429 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.409 ' HA ' ' HE2' ' A' ' 15' ' ' MET . 25.0 t80 -64.86 -29.97 70.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.732 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.26 -31.14 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.841 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.93 -42.21 93.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.1 m -78.34 -28.77 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.1 mmm -58.22 -48.22 81.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.2 mt -64.84 -31.19 72.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -32.42 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 40' ' ' THR . 11.9 m -107.78 37.83 2.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -138.6 -46.99 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -91.96 -18.93 22.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.193 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -97.68 30.06 3.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.813 0.339 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 72.0 mt -87.76 56.87 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -21.45 63.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.285 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -127.42 14.27 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.369 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.51 ' N ' HD12 ' A' ' 47' ' ' ILE . 4.4 mp 46.14 75.28 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 120.871 0.367 . . . . 0.0 111.434 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 129.47 -145.57 16.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.531 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -143.64 112.92 6.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.64 97.33 5.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -96.67 21.71 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -109.7 34.82 3.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -104.61 92.09 4.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.3 -46.84 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.838 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -125.48 138.06 53.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 56' ' ' ILE . 0.7 OUTLIER -59.69 117.08 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -153.9 -58.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -109.69 31.06 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.2 t -141.35 76.62 1.55 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.71 108.62 0.23 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.92 133.56 34.22 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.464 2.109 . . . . 0.0 112.388 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 m -122.85 -175.5 3.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.27 174.27 5.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.492 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -166.09 -178.68 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.337 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -173.77 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.91 101.21 2.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.563 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -121.93 -42.06 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 m 61.41 36.68 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.93 113.18 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.44 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 m -131.18 124.44 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 111.166 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.486 HG23 ' OE1' ' A' ' 29' ' ' GLN . 0.3 OUTLIER -121.61 31.06 6.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -22.52 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t0 65.73 33.44 8.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -123.9 17.84 9.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.047 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.7 m -107.47 2.41 9.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.372 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 61.15 20.3 10.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.741 0.305 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.423 ' HB3' ' CD2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER 48.33 88.49 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.118 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -129.17 42.9 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.423 ' CG ' HD11 ' A' ' 25' ' ' LEU . 56.9 m-85 -75.76 136.82 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.5 p -92.04 -174.86 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -59.39 -43.48 92.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.54 -49.14 70.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.427 ' HA ' HD12 ' A' ' 24' ' ' LEU . 5.2 mt-10 -67.49 -35.23 78.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.736 ' HA ' HD12 ' A' ' 25' ' ' LEU . 71.0 t-105 -56.82 -28.19 61.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -25.8 35.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.4 mt -95.03 20.02 9.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.225 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 22' ' ' TRP . 41.4 mt -99.81 166.61 11.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.886 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -101.12 -178.28 3.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.1 t -67.0 -31.48 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.4 p -68.68 -40.86 79.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.486 ' OE1' HG23 ' A' ' 9' ' ' THR . 3.7 mm100 -74.62 -46.37 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 42.1 mttt -59.3 -26.63 65.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.05 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -89.84 -31.56 17.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.8 mt -73.39 -40.72 64.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 15' ' ' MET . 24.3 t80 -66.9 -25.16 66.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.57 -30.38 27.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.95 -32.12 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 m -83.44 -30.34 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.275 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 29.6 mtp -60.44 -31.04 70.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.35 -31.38 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.34 -31.5 72.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -107.2 43.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -159.58 -55.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -78.63 -30.7 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -99.31 -35.72 9.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt 59.18 31.65 21.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.0 m -61.82 -18.93 61.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.249 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -70.1 67.71 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.873 0.368 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.2 mt -113.61 -33.42 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.212 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.28 -31.54 7.63 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -125.82 129.36 49.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.61 117.89 35.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.8 p-90 -138.01 13.93 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.445 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -114.84 -27.54 7.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.904 0.383 . . . . 0.0 111.195 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -119.81 -34.95 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.048 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.6 m170 62.89 40.76 9.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.835 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -129.92 126.27 37.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 56' ' ' ILE . 9.1 tp -70.79 124.08 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.68 -176.77 3.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -156.43 -179.31 8.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.6 t -110.59 53.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 178.89 88.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.23 -35.34 63.12 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.601 2.2 . . . . 0.0 112.292 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.3 t -71.92 129.93 39.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.3 t -133.33 31.38 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.425 -1.208 . . . . 0.0 112.482 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -148.91 77.89 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -120.77 -42.38 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.98 -140.6 3.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.31 87.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -140.11 124.78 18.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.41 166.66 20.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.413 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.18 146.64 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.4 p -67.25 90.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -145.77 30.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.86 69.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.733 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.56 29.26 6.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.976 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.0 m -98.12 31.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.361 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 96.39 10.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.744 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.98 31.73 6.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.751 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -112.54 62.7 0.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.75 ' CG ' HD11 ' A' ' 25' ' ' LEU . 46.7 m-85 -73.17 124.92 26.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.8 p -74.64 -174.85 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.83 -45.68 91.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -61.74 -51.36 68.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.3 mt-10 -64.43 -32.95 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 63.9 t-105 -55.68 -29.28 59.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -25.28 35.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.071 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.5 mt -95.48 19.98 10.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.238 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.75 HD11 ' CG ' ' A' ' 17' ' ' PHE . 19.9 mt -103.22 172.43 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.76 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.87 172.99 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.1 t -58.84 -28.8 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -70.36 -41.65 72.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.981 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -77.43 -31.92 54.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 40.5 mttt -67.54 -38.02 83.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -82.83 -33.52 27.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.121 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 28' ' ' SER . 15.6 mt -67.8 -42.93 80.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.793 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.486 ' O ' HG22 ' A' ' 36' ' ' VAL . 17.5 t80 -66.46 -27.03 67.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.683 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -82.15 -28.14 32.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -56.31 -32.84 65.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.019 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 33' ' ' TYR . 14.2 m -79.6 -29.69 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.5 mtp -67.61 -34.08 76.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.7 mt -59.69 -36.54 76.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.944 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -72.11 -30.42 65.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.4 m -107.2 46.75 0.92 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -166.76 -44.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -99.34 29.59 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -144.29 23.56 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.9 mt -80.33 -46.69 15.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.801 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.1 m 70.73 7.77 6.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.588 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -153.88 90.67 1.39 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.834 0.349 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 47' ' ' ILE . 2.8 mt -124.56 36.16 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.008 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.52 160.47 25.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -157.97 89.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.88 113.0 21.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -115.9 21.29 13.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -129.3 76.83 1.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.839 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -147.04 68.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -84.08 -32.19 24.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.7 t60 59.68 97.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.995 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 pt -73.63 131.74 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -59.19 -30.22 68.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -91.22 50.82 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.2 t -97.71 69.97 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 135.37 -66.03 0.56 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.519 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.01 178.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.721 2.281 . . . . 0.0 112.301 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.5 t -177.01 -50.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.933 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.0 p -69.92 171.72 8.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.467 -1.185 . . . . 0.0 112.5 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -113.06 -62.7 1.55 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -84.14 126.24 32.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.48 -176.38 14.33 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 t 63.67 137.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.897 0.379 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -80.45 163.84 23.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.45 -146.13 4.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.532 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 8' ' ' VAL . 9.3 m -72.58 179.41 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 111.083 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 61.17 46.72 7.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.81 34.34 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -128.29 76.7 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -133.78 31.52 3.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.9 m -121.71 46.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -96.61 22.32 8.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.09 29.64 4.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -140.67 73.48 1.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.868 ' CD2' HD11 ' A' ' 25' ' ' LEU . 23.2 m-85 -92.88 127.11 38.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.9 p -79.44 -173.82 3.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.22 -48.09 81.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.89 -51.78 66.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.787 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.9 mt-10 -62.37 -33.44 74.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.461 ' HA ' HD12 ' A' ' 25' ' ' LEU . 62.5 t-105 -54.86 -29.29 55.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -85.78 -20.79 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.787 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -94.57 20.08 8.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.313 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.868 HD11 ' CD2' ' A' ' 17' ' ' PHE . 54.4 mt -114.95 163.38 15.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.843 0.354 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -91.38 173.22 8.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.2 t -59.83 -41.14 90.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.614 ' O ' HD12 ' A' ' 32' ' ' LEU . 23.1 t -60.88 -29.97 69.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -80.71 -43.71 19.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.824 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.456 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -56.86 -40.27 75.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.048 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -33.78 49.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 28' ' ' SER . 6.5 mt -61.38 -42.52 98.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.809 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -72.58 -22.66 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.842 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -87.07 -27.36 23.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -57.43 -46.8 83.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -59.97 -37.48 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.3 mmm -63.92 -31.45 72.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.9 -35.48 80.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -98.12 26.68 5.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.979 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -163.02 33.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -157.42 -45.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -90.26 -31.34 17.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -89.64 -5.52 57.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.357 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.0 mt -57.71 -55.99 27.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.74 0.305 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.4 m 71.76 7.68 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.519 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -160.43 88.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.489 ' O ' HG22 ' A' ' 47' ' ' ILE . 15.5 mt -113.69 37.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.31 -164.16 11.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -98.44 26.16 5.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 49.11 54.02 11.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.193 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -105.13 20.61 18.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -98.78 100.67 11.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -168.81 36.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.0 m170 60.69 173.14 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.07 130.6 46.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 56' ' ' ILE . 8.2 tp -149.98 116.31 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -128.77 -66.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.36 95.06 5.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -35.21 77.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 139.16 -144.84 15.86 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.578 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.46 -47.67 23.59 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.636 2.224 . . . . 0.0 112.355 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 t -81.21 125.57 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.84 105.86 3.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.476 -1.18 . . . . 0.0 112.429 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -87.84 170.51 11.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p -120.26 -42.23 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.21 -115.08 5.18 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.541 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.86 -47.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.983 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.5 p -171.79 -178.52 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.36 104.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.1 m -125.24 126.3 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.16 103.81 15.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -108.19 -2.39 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.399 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 t0 61.75 91.18 0.06 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.846 0.355 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.57 31.2 1.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 13' ' ' VAL . 17.2 m -122.09 62.78 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -105.03 -21.22 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.142 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.9 mtp -137.42 30.97 2.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -113.88 76.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.55 ' CG ' HD11 ' A' ' 25' ' ' LEU . 47.9 m-85 -95.31 109.5 21.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -61.41 -176.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -56.78 -39.67 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.11 -57.12 12.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 24' ' ' LEU . 20.6 mt-10 -64.69 -35.14 80.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.433 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 64.7 t-105 -52.03 -27.77 14.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -83.28 -26.73 30.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.6 mt -95.94 20.04 10.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.213 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.55 HD11 ' CG ' ' A' ' 17' ' ' PHE . 20.6 mt -96.62 177.76 5.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -107.42 -179.62 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.1 t -66.93 -31.07 71.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.31 -40.24 45.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 5.9 mm100 -67.35 -46.27 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.843 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 22.5 mttt -61.43 -27.09 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.062 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -89.56 -37.01 15.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.016 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -63.85 -39.84 95.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.98 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -65.34 -28.32 69.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.737 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.9 -28.7 60.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.3 -50.86 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -62.91 -33.5 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mmm -77.45 -17.74 57.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.9 mt -80.43 -31.57 37.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.739 0.304 . . . . 0.0 110.961 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -77.9 -48.58 16.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.803 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.26 62.18 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -176.04 -57.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -69.5 -23.27 63.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.19 28.01 4.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.053 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.8 mt -107.96 31.58 5.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -18.73 62.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.241 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -106.61 10.2 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.337 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 47' ' ' ILE . 4.7 mp 47.11 76.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 120.897 0.38 . . . . 0.0 111.369 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.97 -62.35 0.22 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.559 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.3 t80 61.8 74.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.18 43.54 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 30.9 p-90 -97.08 26.11 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.046 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -95.4 39.21 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -75.25 -27.84 59.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -57.27 140.3 50.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -89.33 107.38 19.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 56' ' ' ILE . 8.9 tp -174.14 112.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.11 -52.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.793 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.02 77.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.2 p -99.2 35.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.74 -168.92 44.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.5 99.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.633 2.222 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.3 p -163.05 -52.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.795 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.3 m 61.14 -177.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.484 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -159.13 -175.53 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t 60.39 89.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.81 -35.29 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.7 167.18 11.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 t -138.46 148.25 44.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.28 85.14 0.42 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.25 115.66 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.475 HG22 ' OD1' ' A' ' 12' ' ' ASP . 25.9 m -103.19 61.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -110.27 -22.62 11.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.116 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -95.36 39.07 1.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.838 0.352 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.475 ' OD1' HG22 ' A' ' 9' ' ' THR . 8.8 p-10 -119.42 -19.83 8.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 m -111.44 38.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.181 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -83.32 -20.2 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.65 30.21 3.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -96.2 78.39 3.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.675 ' CG ' HD11 ' A' ' 25' ' ' LEU . 52.1 m-85 -94.42 113.61 25.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 57.1 p -63.9 -174.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.68 -45.24 94.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.05 -48.05 75.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' HA ' HD12 ' A' ' 24' ' ' LEU . 9.9 mt-10 -60.28 -31.2 70.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.412 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 66.8 t-105 -56.75 -27.95 60.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.06 -24.2 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.0 mt -94.7 20.03 9.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.295 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.675 HD11 ' CG ' ' A' ' 17' ' ' PHE . 28.6 mt -103.89 -178.83 3.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.12 -179.95 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -67.02 -30.61 70.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 m -73.51 -38.4 65.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -75.3 -37.87 60.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 31.8 mttt -66.42 -32.88 74.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -33.55 22.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.967 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 mt -66.91 -41.29 87.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -68.46 -26.89 65.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.719 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.71 -31.49 36.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -60.66 -52.68 64.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.1 m -63.05 -31.4 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.043 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.7 mmt -77.58 -37.17 51.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.16 -31.49 72.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -86.2 -31.21 21.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 46' ' ' ASP . 4.5 m -101.17 49.01 0.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -164.75 -62.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -70.97 -30.92 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -91.56 -35.65 14.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.0 mt 59.03 36.52 24.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.1 m -86.82 5.28 37.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.347 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.467 ' HB3' HG23 ' A' ' 40' ' ' THR . 31.8 t70 -119.9 -3.14 10.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.39 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mp -130.42 -45.25 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.797 0.332 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.41 117.32 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 60.61 -168.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 110.819 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -162.04 82.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -111.44 21.54 16.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.055 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -112.69 -20.59 11.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.212 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -131.18 91.38 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -107.7 122.63 47.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -158.66 47.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 13.8 tt -85.33 135.05 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.033 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -106.3 155.37 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -109.16 -29.76 8.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -58.5 95.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.74 79.05 0.21 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.417 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.21 -61.65 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.555 2.17 . . . . 0.0 112.266 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.4 166.47 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.08 109.6 2.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.466 -1.186 . . . . 0.0 112.581 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -143.91 -47.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.65 116.82 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.62 -131.78 3.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m 60.3 31.72 20.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -121.1 -42.49 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.07 101.88 2.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.411 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.87 143.08 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -113.25 91.99 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.947 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -136.87 31.57 2.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -110.09 83.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -146.62 28.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 12' ' ' ASP . 6.0 m -158.98 59.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.994 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -59.43 -21.17 59.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.304 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 8.5 ptp -170.1 35.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.43 ' HB2' HG12 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -78.71 75.58 5.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.579 ' CG ' HD11 ' A' ' 25' ' ' LEU . 72.6 m-85 -71.08 117.84 13.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 56.2 p -60.7 -177.34 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -61.81 -47.1 86.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.28 -47.89 77.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 24' ' ' LEU . 2.5 mt-10 -60.38 -30.95 69.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.462 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.1 t-105 -60.57 -31.73 70.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.15 -26.59 42.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.5 mt -94.79 19.97 9.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.257 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.579 HD11 ' CG ' ' A' ' 17' ' ' PHE . 12.5 mt -98.52 -177.11 3.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.57 -177.33 3.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -69.42 -17.94 63.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.263 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.71 -35.02 27.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.573 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.1 mp0 -83.38 -41.97 17.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 3.4 tttt -59.34 -30.46 68.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.24 -31.18 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.993 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.55 -42.32 78.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -68.34 -25.14 64.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.93 -30.88 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 38' ' ' LEU . 18.2 mt-10 -60.03 -38.64 83.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -71.22 -30.41 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 55.6 mmm -63.91 -34.29 77.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 35' ' ' GLU . 6.3 mt -60.26 -45.56 92.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -38.34 89.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.5 m -99.69 44.92 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -153.83 -49.61 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -92.74 14.39 17.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -112.17 -27.16 8.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.751 0.31 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.555 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -105.48 66.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.994 0.426 . . . . 0.0 110.652 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.91 4.9 35.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.448 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.52 57.47 4.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.966 0.412 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.587 ' O ' HG22 ' A' ' 47' ' ' ILE . 2.0 mt -102.28 30.82 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.15 -47.86 2.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.379 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.6 t80 58.7 176.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.803 0.335 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -168.12 81.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -94.44 17.4 13.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.28 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -96.05 83.09 3.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.796 0.331 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -95.75 41.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -152.81 169.35 23.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -75.85 145.13 40.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.4 mt -92.06 108.89 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -44.97 75.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.326 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.68 88.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.832 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.0 m -126.31 97.69 5.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.73 -167.04 36.63 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.17 154.23 11.21 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.552 2.168 . . . . 0.0 112.398 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -142.13 106.19 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 m -124.2 -44.22 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.444 -1.198 . . . . 0.0 112.415 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -130.04 31.91 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.741 0.305 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -48.15 78.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.36 -159.23 52.35 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.2 m -116.15 -41.94 3.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -135.05 31.42 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.51 -176.63 2.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.9 -179.25 2.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.351 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 m 61.76 87.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.74 31.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.13 78.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -151.24 32.32 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.722 HG12 HD21 ' A' ' 16' ' ' ASN . 5.3 m -113.7 72.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.085 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -107.51 100.56 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mtt 60.56 43.37 12.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.722 HD21 HG12 ' A' ' 13' ' ' VAL . 17.9 p-10 -117.45 31.7 6.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.623 ' CG ' HD11 ' A' ' 25' ' ' LEU . 38.5 m-85 -59.73 117.25 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 p -79.27 -177.37 5.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -56.84 -33.67 67.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.05 -51.53 13.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 24' ' ' LEU . 8.0 mt-10 -61.54 -30.29 70.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.443 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.6 t-105 -58.04 -28.87 64.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -82.66 -26.68 31.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 21' ' ' GLU . 2.0 mt -94.64 20.09 9.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.227 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.623 HD11 ' CG ' ' A' ' 17' ' ' PHE . 17.3 mt -99.88 159.95 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -82.59 178.82 8.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.95 -30.91 67.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -74.67 -32.65 62.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -72.69 -46.02 55.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 15.8 mttt -60.14 -29.84 68.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 -29.34 18.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 28' ' ' SER . 9.4 mt -73.06 -38.23 66.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -70.09 -23.34 63.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.58 -28.7 20.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.35 -37.77 78.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.55 -34.61 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.252 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -46.17 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.961 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.79 -30.87 69.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -70.95 -42.35 69.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -104.87 65.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -162.31 -66.49 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -76.88 -27.36 54.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.981 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -99.12 36.21 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.81 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 44' ' ' LEU . 18.8 mt -94.33 42.04 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.932 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.5 m -69.59 -12.46 61.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.284 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.5 81.94 2.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.845 0.355 . . . . 0.0 110.75 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 47' ' ' ILE . 18.2 mt -97.06 37.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.021 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.23 -169.41 54.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.456 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -122.98 165.05 17.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.788 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.15 94.77 2.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -139.13 15.13 2.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.202 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -77.94 116.9 18.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -100.81 88.02 3.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -113.18 38.5 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -89.28 158.99 17.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 56' ' ' ILE . 1.4 tp -94.14 60.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -99.07 -26.34 14.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.098 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 64.37 -79.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.96 79.16 2.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.42 -148.14 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.05 -50.89 12.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.633 2.222 . . . . 0.0 112.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.7 p -79.09 123.92 27.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 t -139.46 113.1 8.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.09 0 CA-C-O 118.297 -1.279 . . . . 0.0 112.528 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.55 85.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.01 155.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.78 -60.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -68.5 -30.32 69.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t 61.73 114.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.02 -47.19 4.23 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.48 120.0 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -129.24 34.58 4.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.11 30.96 6.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -129.92 99.79 5.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -156.55 29.94 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 m -143.36 77.9 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -89.74 -21.21 22.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.217 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.2 mmt -110.64 71.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -141.24 75.61 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.82 ' CE2' HD21 ' A' ' 25' ' ' LEU . 38.3 m-85 -88.67 118.41 28.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.9 p -62.1 -179.76 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -43.94 97.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.7 -44.69 85.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.1 -30.87 71.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.45 ' HA ' HD12 ' A' ' 25' ' ' LEU . 62.5 t-105 -59.71 -30.22 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.94 -26.74 43.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.37 20.07 9.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.199 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.82 HD21 ' CE2' ' A' ' 17' ' ' PHE . 16.2 mt -101.77 155.09 18.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.22 175.15 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -36.09 79.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.659 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -68.5 -31.37 70.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.685 ' CB ' HD22 ' A' ' 25' ' ' LEU . 5.8 mm100 -79.86 -41.41 26.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 42.1 mttt -62.89 -29.23 70.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.979 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -40.35 16.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 28' ' ' SER . 7.4 mt -63.84 -38.79 92.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -72.92 -25.59 61.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.906 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.01 -29.36 32.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.51 -43.79 93.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 m -81.53 -33.01 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.4 mmm -60.96 -30.88 70.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.43 -31.69 37.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -70.66 -45.08 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.9 m -95.44 46.39 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -161.88 -44.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.2 -22.45 52.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -97.4 28.52 3.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.986 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.1 mt -118.72 38.19 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 m -59.22 -24.48 63.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -127.11 1.8 6.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.482 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 47' ' ' ILE . 3.9 mp 45.08 40.33 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 CA-C-O 120.957 0.408 . . . . 0.0 111.387 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.78 -61.63 3.65 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.45 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.56 88.73 1.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.54 97.08 4.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -96.11 20.95 9.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.479 ' OE1' HD13 ' A' ' 56' ' ' ILE . 31.0 mt-30 -98.76 73.27 2.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -84.95 68.05 10.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.84 29.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 54.56 81.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.078 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.582 ' O ' HG23 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -100.8 112.51 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -47.16 21.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.07 100.2 11.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.4 p -128.16 119.64 25.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -150.26 55.98 0.47 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.514 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -51.12 -71.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.771 2.314 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.61 -63.1 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.079 -179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.0 m -62.03 -178.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.503 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -142.69 -65.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -149.16 -48.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.29 -133.56 10.66 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.442 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -149.25 94.4 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 m -111.33 139.02 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.804 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.05 118.26 3.81 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t 61.97 151.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.095 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 69.2 m -144.7 77.5 1.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -121.06 -2.58 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.457 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 51.91 86.64 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.843 0.354 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -168.07 36.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.5 m -148.64 41.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.49 -20.84 13.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 52.0 mmm -133.29 33.28 3.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.42 78.85 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.635 ' CG ' HD11 ' A' ' 25' ' ' LEU . 64.6 m-85 -91.02 123.36 34.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.7 p -78.98 -175.13 4.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.46 -43.24 99.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -35.67 79.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -77.23 -30.3 54.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 62.6 t-105 -59.15 -29.99 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.028 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.52 -27.65 41.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.67 20.07 10.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.733 HD22 ' CB ' ' A' ' 29' ' ' GLN . 14.1 mt -98.74 174.48 6.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.41 -172.6 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.5 m -73.12 -21.08 60.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.2 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.458 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -79.9 -33.4 39.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.86 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.733 ' CB ' HD22 ' A' ' 25' ' ' LEU . 3.0 mp0 -84.98 -31.51 23.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 49.8 mttt -71.84 -29.31 64.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.77 -38.24 15.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 28' ' ' SER . 20.0 mt -69.04 -41.79 77.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -68.53 -25.57 65.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.856 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -80.58 -28.54 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -58.45 -52.28 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 m -64.18 -30.69 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.9 mmt -67.15 -31.11 71.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.62 -51.32 14.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -66.18 -38.77 88.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.1 m -91.78 50.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -174.88 -60.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -28.89 69.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -98.83 30.54 3.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 44' ' ' LEU . 18.9 mt -92.1 -31.52 15.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.6 m 71.6 7.47 5.97 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.526 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -135.0 78.32 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 110.838 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.01 65.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.6 88.33 1.58 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.56 109.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -118.36 113.56 21.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -139.48 22.0 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -107.55 33.28 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -141.81 125.96 17.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -122.16 -61.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -82.76 175.79 9.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.526 ' O ' HG23 ' A' ' 56' ' ' ILE . 8.7 tp -75.98 117.23 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.046 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -80.9 151.12 28.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -87.71 -27.84 22.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t 64.05 84.43 0.15 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.52 -98.5 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.56 -73.6 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.698 2.265 . . . . 0.0 112.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -60.36 144.2 51.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.962 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 6.8 p -93.69 142.3 27.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.34 -1.256 . . . . 0.0 112.5 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -124.55 -74.82 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.64 25.94 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.51 15.96 54.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.828 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 49.21 28.51 2.24 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.728 0.299 . . . . 0.0 111.15 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 m -117.72 178.65 4.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.61 -77.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.416 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -125.86 149.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 111.184 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.49 31.97 2.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -99.16 31.46 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -122.17 57.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -118.75 -21.02 8.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.3 m -111.47 31.07 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.121 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -99.93 84.27 2.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.91 56.6 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -93.0 59.19 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.532 ' CD1' HD21 ' A' ' 25' ' ' LEU . 35.8 m-85 -84.5 110.88 19.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -71.49 -177.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 -40.92 93.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -66.73 -46.21 76.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -69.02 -30.65 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.614 ' HA ' HD12 ' A' ' 25' ' ' LEU . 63.9 t-105 -55.88 -29.52 60.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.98 -27.68 39.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.34 19.97 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.204 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.647 HD22 ' CB ' ' A' ' 29' ' ' GLN . 23.0 mt -95.45 168.15 10.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.82 0.343 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -102.46 -177.88 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.56 -30.88 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.673 ' O ' HD12 ' A' ' 32' ' ' LEU . 96.5 p -73.24 -39.41 65.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.647 ' CB ' HD22 ' A' ' 25' ' ' LEU . 6.5 mm100 -70.53 -47.64 59.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.448 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 3.7 mttt -58.84 -29.16 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.36 -29.9 19.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.002 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 28' ' ' SER . 4.6 mt -74.07 -39.54 63.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.944 0.402 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -70.3 -27.58 64.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.754 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -77.05 -30.64 55.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.8 -35.91 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.5 m -81.15 -24.91 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.263 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -3.41 42.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt -103.48 -30.68 10.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.735 0.303 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.29 -46.86 15.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.4 m -95.62 43.67 1.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -156.52 -57.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.74 -31.08 69.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.822 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -99.98 30.39 3.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.61 -58.83 6.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.45 -19.18 10.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.226 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -71.84 65.81 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.899 0.38 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 mt -109.03 -30.82 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.13 -97.81 2.24 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -154.8 123.0 5.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -117.87 131.59 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 50.1 p-90 -148.49 22.95 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -105.76 20.27 19.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.151 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -177.11 35.19 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.81 0.338 . . . . 0.0 110.989 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.7 m170 52.49 -179.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.075 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -104.17 122.3 45.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 56' ' ' ILE . 3.4 tp -63.47 114.11 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.041 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -115.64 -38.08 3.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.78 61.9 5.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.87 90.02 3.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.72 108.26 2.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.447 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.91 158.07 2.35 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.524 2.149 . . . . 0.0 112.412 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 t -109.12 48.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.0 p -121.97 32.81 5.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.535 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -139.64 104.98 5.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.776 0.322 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.3 -32.88 6.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.25 169.45 41.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.41 31.57 20.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.777 0.322 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.08 135.57 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.95 -80.64 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.583 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 15.8 m -120.01 173.06 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -128.69 63.57 1.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -101.57 33.43 2.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -167.21 156.03 10.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -162.92 31.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 m -129.16 53.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -109.86 -18.35 13.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.375 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 mtt -88.77 53.21 2.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.893 0.377 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -106.4 34.44 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.501 ' CG ' HD11 ' A' ' 25' ' ' LEU . 65.2 m-85 -68.73 104.82 2.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.1 p -68.68 -171.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.89 -37.83 80.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -47.59 60.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -66.45 -30.23 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 67.2 t-105 -57.77 -30.11 65.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.44 -27.29 34.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.31 19.99 9.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.133 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 29' ' ' GLN . 13.1 mt -95.45 -179.49 4.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.865 0.364 . . . . 0.0 110.838 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.13 174.15 6.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.1 m -63.12 -31.83 73.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.636 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -77.9 -31.57 51.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.506 ' CB ' HD22 ' A' ' 25' ' ' LEU . 5.5 mm100 -75.43 -40.28 57.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 38.7 mttt -66.1 -29.35 69.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.76 -33.52 19.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 28' ' ' SER . 4.8 mt -66.91 -41.58 86.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -68.9 -25.87 64.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.03 -29.96 24.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -59.45 -43.11 93.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.7 -34.15 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.54 -31.8 72.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -78.89 -31.75 45.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -64.3 -48.89 73.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.0 m -101.25 62.75 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.428 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.2 t80 -176.72 -40.22 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.809 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.43 29.17 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -146.8 21.89 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 41' ' ' TYR . 4.3 mt -101.45 39.24 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.6 m -72.79 -12.61 61.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.424 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -130.32 98.95 4.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.83 0.347 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 47' ' ' ILE . 18.6 mt -108.18 33.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.2 -149.97 5.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.633 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 62.55 118.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -129.56 92.09 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -118.49 -3.55 10.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.317 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.28 -69.33 0.66 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.139 0.495 . . . . 0.0 110.983 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.9 t0 60.2 93.06 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -116.3 -66.34 1.09 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.3 m80 60.22 90.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 56' ' ' ILE . 6.6 tp -97.39 75.38 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.08 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 54.87 -166.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -156.6 126.96 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -159.28 31.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.13 152.21 24.47 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.456 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.88 -165.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.611 2.207 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m 62.79 -176.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.6 t 68.49 -68.49 0.17 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.471 179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 p -125.61 -42.8 1.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 110.993 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t 63.29 99.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.34 166.19 23.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.441 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -67.26 158.27 31.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.353 . . . . 0.0 110.82 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t -107.5 -55.17 2.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.44 -118.17 0.61 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.2 t -96.42 144.09 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.16 79.56 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -114.94 31.24 6.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.93 31.67 5.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -157.66 38.85 0.28 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 m 40.84 84.67 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.808 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -94.78 108.18 20.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 63.84 31.28 14.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.798 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -116.66 79.5 1.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.689 ' CE2' HD21 ' A' ' 25' ' ' LEU . 56.6 m-85 -87.66 132.51 34.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.807 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -80.59 -178.89 6.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -38.95 87.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.797 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.93 -49.88 59.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.46 ' HA ' HD12 ' A' ' 24' ' ' LEU . 10.2 mt-10 -65.72 -29.22 69.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.538 ' CE3' HD12 ' A' ' 25' ' ' LEU . 63.5 t-105 -57.78 -29.03 64.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.09 -26.82 42.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -95.16 20.11 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.201 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.921 HD22 ' CB ' ' A' ' 29' ' ' GLN . 14.6 mt -96.77 170.78 8.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -111.24 -176.45 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 m -66.76 -16.12 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.297 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.615 ' O ' HD12 ' A' ' 32' ' ' LEU . 10.8 m -89.47 -38.13 14.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.921 ' CB ' HD22 ' A' ' 25' ' ' LEU . 4.7 mp0 -77.26 -31.27 54.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HA ' ' CH2' ' A' ' 22' ' ' TRP . 51.8 mttt -74.73 -29.53 61.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.81 -40.79 12.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 28' ' ' SER . 4.9 mt -64.14 -40.3 95.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -65.61 -26.83 68.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.89 -30.74 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -59.34 -52.83 63.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.6 m -64.8 -33.92 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.0 mtm -67.25 -33.2 74.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.799 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 38' ' ' LEU . 13.6 mt -61.96 -35.15 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.779 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.47 27.57 4.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 m -160.29 32.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.732 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -155.93 -40.09 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.41 35.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.077 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -159.8 -44.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.671 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.9 mt 58.16 88.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.079 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.92 -21.37 54.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.074 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -149.16 100.8 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.804 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -92.07 -36.82 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.93 -171.34 22.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -173.68 114.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.95 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.71 94.15 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 59.9 p-90 -96.26 21.06 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.452 ' HB3' ' CD2' ' A' ' 54' ' ' HIS . 1.6 mt-30 -95.87 -35.4 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.925 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.32 -78.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.155 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.452 ' CD2' ' HB3' ' A' ' 52' ' ' GLN . 73.8 m-70 63.14 129.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -169.06 81.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 56' ' ' ILE . 2.2 tt -69.29 117.45 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -125.77 -41.1 2.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.7 92.79 0.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.61 63.12 7.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.44 150.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.16 -61.89 0.41 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.595 2.197 . . . . 0.0 112.308 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.5 m -114.17 96.49 5.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.83 -31.43 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.517 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -100.82 170.26 8.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 p -168.46 -70.57 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.0 103.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.435 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -154.83 179.95 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.361 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.9 p -160.02 137.08 9.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.16 53.76 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.443 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.6 m -147.21 152.51 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.768 0.318 . . . . 0.0 111.224 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.05 89.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.42 -30.38 10.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -122.85 43.02 3.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -171.2 88.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.756 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.9 m -139.78 15.6 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.549 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 49.82 -93.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.417 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.7 mmt -145.92 52.21 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.935 0.397 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -136.44 44.52 2.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.614 ' CG ' HD11 ' A' ' 25' ' ' LEU . 91.9 m-85 -59.48 145.82 42.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.2 p -95.56 -174.86 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.78 -43.74 97.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.25 -52.98 34.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.648 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -59.55 -29.89 68.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 69.6 t-105 -56.89 -29.55 63.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.42 -23.63 34.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -94.51 20.02 8.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.226 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.614 HD11 ' CG ' ' A' ' 17' ' ' PHE . 43.0 mt -104.4 179.88 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -111.96 -179.27 3.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 m -66.16 -30.98 71.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -42.26 60.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -70.35 -39.51 74.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 44.3 mttt -66.26 -29.33 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -86.37 -35.76 19.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.19 -35.83 80.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.461 ' O ' HG22 ' A' ' 36' ' ' VAL . 28.8 t80 -72.83 -23.69 60.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -84.55 -30.4 25.11 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -59.36 -31.25 69.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.942 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 33' ' ' TYR . 17.0 m -79.16 -30.83 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 5.1 mtp -76.62 -34.24 58.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.6 mt -74.86 -32.72 61.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.56 -31.32 59.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.4 m -98.18 44.38 1.04 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.85 -45.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -98.61 31.22 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -150.29 26.92 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.975 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.03 -41.26 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.816 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.4 m 70.66 7.92 6.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.576 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -172.17 98.44 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mt -93.96 -58.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 179.5 56.61 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -151.5 140.38 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.93 117.09 14.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 42.0 p-90 -143.37 23.78 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -133.84 64.27 1.61 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.962 0.41 . . . . 0.0 110.786 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 54' ' ' HIS . 4.9 t70 -159.28 41.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.737 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.408 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 75.3 m-70 -161.06 -39.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.106 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 76.98 111.27 0.07 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.429 ' O ' HG23 ' A' ' 56' ' ' ILE . 17.8 tt -70.74 123.66 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.204 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -110.52 -30.82 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 61.3 111.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -153.69 126.48 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -71.79 -84.86 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.571 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.09 153.45 12.45 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.625 2.217 . . . . 0.0 112.321 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 p -123.79 36.57 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -165.99 121.82 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.473 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.43 80.86 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -71.41 167.78 18.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.1 157.14 27.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -77.14 103.89 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -102.01 106.96 17.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.37 -44.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.0 m -101.83 152.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.8 p -145.96 84.74 1.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.9 30.71 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.08 34.02 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -123.16 -2.45 8.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 13' ' ' VAL . 21.7 m -137.4 91.73 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 120.891 0.377 . . . . 0.0 111.16 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -96.63 32.26 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 mmt -125.99 40.42 3.74 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.788 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -107.96 36.04 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.442 ' CG ' HD11 ' A' ' 25' ' ' LEU . 48.6 m-85 -60.19 118.06 5.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.4 p -74.72 -173.42 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -48.15 83.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -59.38 -55.19 37.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 24' ' ' LEU . 1.9 mt-10 -60.36 -32.28 71.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.451 ' CZ2' ' HG2' ' A' ' 30' ' ' LYS . 71.6 t-105 -56.03 -30.87 62.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -80.33 -24.59 39.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.8 mt -97.9 20.0 12.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.274 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' A' ' 25' ' ' LEU . 15.3 mt -94.84 -179.74 4.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.862 0.363 . . . . 0.0 110.819 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -112.32 179.12 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.1 m -65.69 -31.05 71.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.529 ' O ' HD12 ' A' ' 32' ' ' LEU . 1.3 m -73.29 -39.43 65.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -72.53 -45.51 58.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' HG2' ' CZ2' ' A' ' 22' ' ' TRP . 20.3 mttt -60.08 -28.46 67.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.987 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.6 ttt-85 -86.96 -46.23 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.13 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 28' ' ' SER . 4.9 mt -60.38 -37.96 82.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 37' ' ' MET . 22.2 t80 -70.44 -27.0 63.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.809 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -83.85 -29.89 26.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -59.64 -52.85 63.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.961 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -71.51 -34.5 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.431 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.8 mmm -62.98 -36.05 82.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.33 -39.19 89.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.21 -31.91 73.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.51 43.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.617 ' O ' HD11 ' A' ' 47' ' ' ILE . 1.8 t80 -161.13 -44.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -27.06 37.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -98.05 30.42 3.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.0 mt -89.67 -35.57 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.9 m 71.41 7.58 6.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.575 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.54 79.44 1.39 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.784 0.326 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.617 HD11 ' O ' ' A' ' 41' ' ' TYR . 18.6 mt -122.62 34.16 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.02 124.26 32.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.539 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -102.6 131.75 49.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.767 0.318 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.71 87.93 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -124.08 16.82 9.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.232 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -125.96 77.92 1.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 111.001 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -132.96 30.54 3.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.2 m170 59.37 -178.59 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 86.95 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.582 ' C ' HD13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -63.47 118.0 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.993 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.517 ' N ' HD13 ' A' ' 56' ' ' ILE . 8.4 mt-10 -116.64 -57.47 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 69.39 -66.05 0.27 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -28.56 63.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.089 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -125.67 73.53 0.43 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.572 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.44 90.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.645 2.23 . . . . 0.0 112.239 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.68 94.87 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.954 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 m -174.25 100.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.451 -179.979 . . . . . . . . 0 0 . 1 stop_ save_