data_2kyq_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 2kyq _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 ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.78 0.324 . . . . 73.44 110.906 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -146.59 155.95 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.905 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -158.99 143.96 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.98 140.33 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.13 111.073 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -122.64 86.88 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.915 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.2 -20.87 57.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 74.21 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -57.01 -26.49 60.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.846 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -73.31 156.22 89.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.733 . . . . 64.14 110.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 130.52 19.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.269 . . . . 74.21 112.356 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.18 -30.06 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 74.15 111.159 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 p -56.06 -29.75 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.813 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.94 -24.01 60.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.51 110.854 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.9 t -51.69 -34.93 40.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 75.04 110.89 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.96 -31.0 66.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.898 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -83.84 133.04 34.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 64.4 110.892 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.64 -28.64 17.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 75.43 111.044 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -90.38 -13.7 34.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -82.52 -39.97 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.25 110.97 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -63.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.878 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -57.93 -27.8 63.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.923 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -67.41 -45.51 75.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.944 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.07 -27.88 48.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 73.15 110.855 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.9 m -76.34 -55.42 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.923 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -65.92 -11.63 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.951 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.11 -61.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 74.2 110.935 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -94.32 -52.05 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.856 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -10.02 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.915 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 51.94 25.95 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 71.51 110.895 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.11 -165.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 64.34 111.088 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -132.18 -40.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 73.32 110.887 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 t -126.51 39.73 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 65.01 110.884 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.69 116.71 3.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 70.31 112.487 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -150.47 162.81 39.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 71.31 110.817 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -103.42 152.05 22.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 64.32 110.887 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -158.7 152.69 23.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 75.42 110.85 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -58.62 136.5 57.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.957 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.55 -171.07 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.469 . . . . 74.22 110.93 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.12 -18.21 60.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 74.54 110.927 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -103.97 26.8 8.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 72.54 110.924 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? 57.52 23.4 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 75.35 110.91 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -102.03 128.48 48.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 63.32 110.931 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -89.32 116.18 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.88 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -131.61 158.39 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 65.41 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 t -92.9 109.59 21.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 44.12 110.863 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -97.59 136.72 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.23 111.132 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.7 m -111.48 129.13 56.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.02 110.906 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -114.87 120.73 40.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.845 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -108.05 118.7 37.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.898 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 70.31 110.871 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.775 0.321 . . . . 74.03 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -146.27 146.71 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.888 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -150.16 137.46 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.871 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.8 p -100.76 140.03 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 72.23 111.132 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.22 91.56 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.864 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.64 -21.87 64.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.31 110.913 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.2 -17.99 65.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 73.42 110.931 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -74.8 159.77 82.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 71.15 110.973 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 126.09 12.93 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.704 2.269 . . . . 74.43 112.354 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.07 -24.17 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 64.11 111.107 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -62.58 -30.32 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.849 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -68.54 -29.8 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.3 t -53.06 -30.11 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -58.15 -23.84 56.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 64.41 110.944 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -107.63 136.04 48.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.89 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.43 -29.09 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 63.11 111.116 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -81.12 -18.22 47.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.898 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -82.46 -40.47 21.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.862 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -61.69 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 74.24 110.89 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -30.17 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.865 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.98 -43.51 74.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.897 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -77.08 -27.82 54.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.883 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.3 m -78.77 -51.42 9.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.899 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -68.48 -12.39 61.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.35 110.904 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 tp -79.45 -62.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 71.02 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.79 -51.01 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 65.0 110.877 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -9.92 57.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 52.31 25.24 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 71.52 110.872 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.16 -165.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 74.44 111.12 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -132.57 -43.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.888 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -124.17 38.96 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.867 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.33 118.4 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 51.45 112.46 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -151.45 166.45 31.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 73.11 110.898 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.57 151.84 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.847 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -164.2 161.38 22.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 73.21 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -66.82 140.94 57.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 75.53 110.925 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.34 -176.41 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 71.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -64.31 -20.73 66.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 70.42 110.923 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -94.87 22.92 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.23 110.903 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 51.86 29.78 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.32 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -110.12 151.4 27.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.862 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 mt -101.29 120.8 40.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 70.11 110.883 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -139.14 161.58 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.43 110.882 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.48 110.43 22.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.896 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -100.33 144.51 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.34 111.175 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.5 m -118.2 129.82 55.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 72.44 110.897 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.55 109.03 20.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.35 110.859 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -102.02 126.52 48.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.913 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 63.22 110.862 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.774 0.321 . . . . 73.11 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.2 144.28 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.889 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -158.31 152.14 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 73.22 110.94 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.92 140.13 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 72.33 111.098 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.66 90.97 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.0 110.833 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.09 -13.39 62.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.901 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -65.91 -19.3 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.01 110.89 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.99 154.95 52.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 75.55 110.934 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.09 36.92 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 74.12 112.354 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.67 -29.48 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 72.3 111.15 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -54.59 -28.77 48.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.838 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -29.96 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 65.32 110.901 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 t -52.83 -30.44 33.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 64.53 110.938 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -57.89 -23.52 53.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.834 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -107.8 135.13 49.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 73.15 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.94 -33.53 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 54.41 111.084 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -76.12 -20.54 57.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 75.14 110.934 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -79.46 -41.34 27.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.951 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -63.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.54 110.868 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.95 -28.52 57.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.877 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -67.96 -49.33 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 71.24 110.943 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -28.64 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 75.54 110.808 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.7 m -75.95 -55.38 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 63.14 110.879 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -66.54 -11.72 54.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -79.29 -61.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 74.11 110.95 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.17 -51.81 4.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 73.01 110.872 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -70.58 -9.84 57.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.927 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 51.87 26.36 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 71.32 110.864 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.65 -165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 74.35 111.092 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -131.61 -42.05 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 73.4 110.857 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -126.3 38.9 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.803 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.92 117.39 5.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 54.3 112.491 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -151.09 166.83 29.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 72.55 110.927 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -103.43 152.39 21.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 64.15 110.915 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -163.54 154.38 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.843 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -59.58 143.9 49.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 71.5 110.882 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -101.41 -174.19 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 73.53 110.932 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.28 -21.3 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.854 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -98.85 26.21 5.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 63.43 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 55.15 26.04 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 74.01 110.894 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -105.78 134.5 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 73.22 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -91.77 126.19 36.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.989 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -144.05 161.16 39.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.909 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.0 t -94.19 110.59 22.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.872 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.49 142.29 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 71.05 111.112 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.3 m -117.37 132.13 56.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.855 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -118.89 122.79 43.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 60.5 110.875 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -113.99 121.66 44.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.935 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.853 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.763 0.316 . . . . 74.4 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.49 144.59 29.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.909 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -149.99 147.53 27.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.817 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -95.73 138.88 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.32 111.128 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.91 73.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.883 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -68.6 -12.32 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 65.34 110.809 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -83.02 -19.72 36.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 73.03 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.79 156.86 61.16 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.683 0.754 . . . . 73.54 110.956 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 127.7 14.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.626 2.217 . . . . 72.45 112.326 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.41 -18.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 72.32 111.055 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -56.32 -29.38 61.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -75.53 -22.86 56.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 73.55 110.849 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 t -51.95 -33.49 37.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 74.33 110.903 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -55.27 -26.22 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.966 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 mt -104.17 136.48 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.932 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.0 -30.12 16.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 75.05 111.119 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -80.14 -20.91 43.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -79.31 -41.26 28.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.88 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -63.04 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.88 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.99 -27.98 55.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 70.33 110.922 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -68.26 -48.89 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 72.12 110.954 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.44 -28.09 61.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 71.32 110.829 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -76.89 -52.84 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 61.22 110.862 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -68.6 -12.5 61.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 tp -79.33 -62.26 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 73.32 110.963 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.76 -50.95 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 73.14 110.882 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -9.78 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.922 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 52.37 25.21 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 62.55 110.889 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.01 -165.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 71.5 111.107 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -132.98 -43.84 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 75.45 110.908 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 t -123.37 38.71 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 55.33 110.923 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.57 114.72 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 72.43 112.523 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -148.61 164.07 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 75.35 110.888 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 p -103.82 151.18 23.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 51.1 110.876 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -162.41 156.67 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.889 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -61.81 138.08 58.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.946 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.34 -178.76 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 62.3 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.72 -22.92 66.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.916 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -100.6 25.95 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.908 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 56.45 26.31 10.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 70.31 110.873 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -102.41 123.77 46.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.11 122.49 27.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.92 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -142.07 160.45 40.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 73.41 110.901 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.9 t -93.85 110.61 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 71.05 110.882 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -100.81 139.28 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.41 111.147 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 m -113.51 127.55 56.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.875 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 111.56 23.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.823 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -103.43 122.13 44.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.956 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 70.14 110.833 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.838 0.351 . . . . 73.22 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.59 162.08 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.821 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -164.6 150.91 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 71.41 110.895 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.42 140.1 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.03 111.139 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.45 91.86 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.924 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -62.67 -20.24 64.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 71.32 110.91 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.0 -21.48 59.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.826 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -72.84 159.93 84.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 61.44 110.924 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 120.79 7.52 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 74.2 112.317 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.12 -37.46 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 75.53 111.137 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.3 m -62.77 -50.05 72.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.01 110.861 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -73.11 -15.33 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -33.03 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 74.4 110.967 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -53.1 -27.07 18.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.825 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -79.9 129.87 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 74.32 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.23 -26.99 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 73.12 111.112 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -80.55 -22.18 41.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.798 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -82.26 -39.38 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.943 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -60.66 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 63.23 110.913 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -30.83 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.25 110.952 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -66.32 -45.54 79.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -76.9 -33.27 57.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 74.14 110.836 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -68.3 -54.18 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.945 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -66.55 -11.38 52.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 74.54 110.903 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -62.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 72.31 110.883 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -94.78 -51.93 4.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 64.42 110.897 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.83 -10.04 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 74.2 110.949 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 50.64 27.93 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.882 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.91 -165.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 73.34 111.097 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -37.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.55 110.869 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -130.51 38.78 3.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.919 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.17 122.83 19.36 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.76 -0.733 . . . . 73.41 112.435 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -146.31 168.45 21.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.369 . . . . 75.51 110.876 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.5 m -103.78 144.35 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -161.31 167.01 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.864 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -79.52 149.27 31.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 74.11 110.898 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -106.32 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 72.45 110.842 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.05 -20.98 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.914 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -94.83 22.69 6.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 73.51 110.914 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? 52.28 29.49 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.881 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -108.46 139.38 43.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.891 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -90.95 126.38 36.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.892 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -145.22 175.34 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.943 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 t -104.15 110.75 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 61.11 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -100.01 128.23 52.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 75.51 111.142 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 m -109.14 135.26 50.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 71.34 110.866 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.81 122.94 47.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.897 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -113.49 113.92 25.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 65.02 110.944 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 75.1 110.929 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.769 0.319 . . . . 64.51 110.955 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -127.71 159.28 35.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.898 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.12 146.18 10.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 63.24 110.868 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -96.33 133.98 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 61.33 111.152 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.7 90.31 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.892 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.31 -16.51 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 64.35 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -19.47 61.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.867 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -94.97 153.0 39.96 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.694 0.759 . . . . 74.23 110.96 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 146.84 61.04 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.275 . . . . 74.15 112.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.3 t -68.39 -15.77 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 63.53 111.084 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -57.63 -34.74 69.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.866 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -59.83 -34.9 73.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 74.35 110.83 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.74 -26.48 45.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.908 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -63.47 -21.28 66.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.03 110.899 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 mt -116.26 136.23 53.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.91 -25.08 22.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.22 111.06 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -86.9 -21.82 26.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 74.12 110.822 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -80.1 -40.69 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 71.3 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -62.09 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 60.2 110.86 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -57.31 -32.31 66.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -62.73 -49.73 73.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.4 111.004 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -73.16 -30.28 63.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.513 . . . . 74.23 110.838 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 m -69.52 -42.27 74.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 74.52 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -78.73 -9.54 59.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 72.32 110.893 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.04 -61.87 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 75.34 110.911 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -94.33 -52.28 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.803 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -9.86 58.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.916 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 m80 51.07 27.93 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 72.34 110.816 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.7 -165.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 65.34 111.087 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -131.02 -39.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.837 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -133.48 39.58 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.43 110.87 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.63 128.61 24.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 73.1 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -150.19 171.78 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.926 0.393 . . . . 73.33 110.885 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 p -103.19 157.6 16.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.955 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -167.38 163.71 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.881 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -76.4 138.74 40.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 62.35 110.96 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -99.79 -176.19 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.864 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -63.02 -21.74 66.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.905 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -94.86 23.08 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 71.04 110.901 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 51.61 30.17 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.15 110.917 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -109.14 146.66 33.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.809 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -99.99 119.87 38.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 62.44 110.892 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -133.68 167.56 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 72.52 110.945 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.6 t -94.46 110.45 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 75.21 110.87 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.84 145.51 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 75.2 111.147 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.9 m -118.21 137.04 53.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 65.03 110.903 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.8 125.22 48.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 74.1 110.845 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -116.42 112.81 21.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.53 110.916 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 62.14 110.879 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.799 0.333 . . . . 75.25 110.869 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -146.16 158.14 43.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.878 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -158.28 142.72 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.61 139.59 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.33 111.134 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.2 94.93 5.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.972 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.52 -33.22 75.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.11 -24.85 63.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.909 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -71.57 136.43 83.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.683 0.754 . . . . 74.4 110.936 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 134.69 28.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 71.54 112.371 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.95 -15.86 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 64.24 111.149 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.6 m -57.72 -29.91 65.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 65.25 110.821 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -80.2 -22.65 41.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.853 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -53.28 -31.75 45.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 73.3 110.879 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -57.47 -23.28 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 75.41 110.95 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.5 mt -107.51 135.07 49.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.2 -31.31 16.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 73.53 111.067 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -79.01 -17.37 55.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 75.44 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -82.21 -41.25 20.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.895 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -61.47 -61.73 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.891 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -29.88 63.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.939 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.45 -45.74 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.3 110.907 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -28.15 57.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 73.45 110.889 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m -76.79 -51.2 11.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.918 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -68.8 -12.21 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.938 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -79.17 -62.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.894 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -94.12 -50.98 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 64.03 110.844 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -10.47 59.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.845 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 51.48 26.19 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.901 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.39 -164.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.33 111.065 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -133.4 -40.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 74.53 110.857 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 m -126.21 38.59 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 65.12 110.879 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.37 118.84 7.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.77 -0.728 . . . . 75.21 112.483 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -150.86 167.79 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 73.24 110.857 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 p -103.72 152.47 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.4 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.07 159.99 11.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.843 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -65.17 140.56 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.876 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -102.94 -177.45 3.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.915 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -62.63 -20.96 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.908 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -94.9 22.94 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.23 110.904 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? 51.6 30.51 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.898 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -111.12 149.16 31.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.52 110.859 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.5 mt -100.88 122.5 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.925 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -143.16 165.91 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.946 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.35 110.79 22.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 62.21 110.937 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -101.55 137.68 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 62.54 111.043 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 m -112.15 131.74 55.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.949 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -120.33 121.99 39.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.03 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -113.71 113.21 24.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.951 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 55.24 110.878 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.735 0.303 . . . . 73.22 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.3 148.91 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 75.51 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -156.23 145.72 20.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.885 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -98.23 140.46 18.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.12 111.159 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -112.39 84.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.958 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -63.61 -16.81 61.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 74.05 110.89 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -28.34 69.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.31 110.845 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.84 148.67 72.82 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 74.55 110.918 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 141.51 45.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.622 2.214 . . . . 74.12 112.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.7 t -68.36 -18.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.074 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -64.66 -30.53 71.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.22 110.842 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.05 -26.92 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 73.04 110.869 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.72 -31.6 38.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 70.31 110.919 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -56.38 -25.25 49.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 70.45 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.1 mt -103.68 136.64 43.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 72.31 110.975 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.55 -39.61 12.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.074 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -71.9 -19.68 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 72.04 110.893 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -43.4 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.23 110.89 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -62.64 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.931 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -54.13 -30.65 49.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.904 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -66.88 -50.2 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.96 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.56 -29.77 65.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.506 . . . . 74.24 110.89 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.1 m -74.34 -53.75 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 74.22 110.849 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -66.7 -11.62 55.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.93 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -79.14 -62.1 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 75.55 110.949 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -94.39 -52.15 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.851 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -10.05 58.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 74.41 110.921 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 50.56 27.61 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 73.44 110.894 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.11 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.01 111.12 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -132.25 -39.76 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.867 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.5 t -128.89 38.82 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.852 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.73 120.07 8.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 71.44 112.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -149.45 168.4 23.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 71.14 110.86 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.4 p -103.41 154.17 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.21 110.889 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -165.05 159.9 18.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 74.31 110.892 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -70.45 132.91 46.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 73.15 110.959 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -89.6 -176.35 4.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.925 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.98 -22.61 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 71.12 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -99.41 25.75 6.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 74.12 110.82 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 54.35 27.29 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 71.51 110.879 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -101.83 124.2 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.897 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.23 114.8 22.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.964 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -134.16 166.34 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.23 110.883 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.7 t -94.48 110.44 22.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.04 110.874 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 142.71 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.54 111.102 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.1 m -116.64 133.91 55.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 72.24 110.874 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -118.17 124.77 48.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 73.45 110.886 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -122.44 113.16 18.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.904 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 60.4 110.849 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.819 0.342 . . . . 75.45 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -123.03 147.92 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 74.51 110.829 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -154.93 141.52 18.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.44 110.91 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 p -104.09 140.1 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.31 111.103 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.04 91.72 3.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 73.32 110.927 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.11 -19.56 65.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.021 -0.536 . . . . 64.25 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.64 -19.6 58.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 71.45 110.888 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -76.52 156.11 83.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.695 0.76 . . . . 75.24 110.914 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 127.98 15.29 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 70.44 112.322 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.5 t -68.28 -20.51 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.066 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m -69.54 -29.62 67.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.921 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.68 -23.71 59.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 74.11 110.9 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.8 t -51.38 -35.12 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 64.34 110.914 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.17 -31.58 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 75.04 110.894 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -81.01 135.16 35.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.918 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.68 -29.21 16.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.151 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -90.18 -15.99 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.33 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -80.33 -42.85 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.964 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.51 110.923 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -54.98 -29.55 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.858 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -68.7 -50.0 54.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 75.54 110.886 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.9 -28.13 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 75.12 110.901 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.7 m -78.53 -52.6 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.43 110.837 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -68.53 -12.2 60.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.01 110.948 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 tt -79.18 -62.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 63.42 110.866 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.91 -50.96 5.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.843 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -10.23 58.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 73.54 110.92 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 t60 52.25 24.9 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.928 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.65 -163.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.53 111.072 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -134.43 -40.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.11 110.891 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.2 m -124.38 39.28 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 71.31 110.892 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.58 122.13 10.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 55.51 112.529 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -152.69 165.01 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 74.45 110.898 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.57 153.12 20.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 54.33 110.882 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -165.88 161.78 17.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.879 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -60.79 136.02 57.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 73.25 110.894 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -101.21 -175.98 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 73.45 110.901 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -64.58 -20.58 66.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 55.13 110.897 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -93.91 19.12 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 75.2 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? 55.98 25.18 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.872 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -108.97 159.29 16.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.847 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 mt -101.56 117.03 34.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.958 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -132.81 159.93 38.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 62.23 110.864 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.9 t -93.22 109.84 21.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.875 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.01 146.41 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 72.43 111.137 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.3 m -118.72 131.11 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 51.35 110.945 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.56 116.89 29.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 75.45 110.858 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -113.39 113.11 24.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 70.14 110.898 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 63.01 110.895 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 tttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.819 0.342 . . . . 75.43 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.66 162.13 22.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.836 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -164.98 148.84 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.968 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.34 136.29 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 74.43 111.137 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.72 88.07 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.948 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.73 -19.38 64.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 60.02 110.872 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.22 -19.28 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.12 110.851 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -81.77 154.47 70.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.631 0.729 . . . . 72.11 110.907 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 125.69 12.45 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.749 2.3 . . . . 73.23 112.335 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.32 -15.95 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 74.12 111.113 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 m -61.97 -29.47 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.873 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -78.37 -18.82 54.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 74.1 110.895 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.2 t -51.09 -36.96 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.891 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -57.6 -32.59 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.52 110.863 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -81.61 134.38 35.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.922 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.09 -29.21 16.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 65.24 111.096 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -90.11 -17.52 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 75.35 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -77.35 -44.21 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.04 110.885 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -63.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 70.43 110.883 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -54.22 -28.22 39.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -69.03 -49.52 56.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.913 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -69.24 -30.81 69.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.835 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.6 m -76.52 -53.56 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 75.33 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -67.18 -11.38 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.892 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tt -78.99 -62.29 1.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 63.43 110.927 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.51 -51.89 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 72.01 110.916 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -70.92 -10.08 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 74.43 110.897 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.0 m80 50.51 28.62 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 74.35 110.847 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.82 -165.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 75.05 111.097 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -131.94 -40.37 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -125.63 38.83 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.34 110.858 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.44 116.39 4.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.668 -0.777 . . . . 62.03 112.504 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -152.16 165.8 33.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 70.32 110.942 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.5 p -103.67 152.71 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.3 110.888 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -165.56 155.0 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 71.23 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -58.88 144.07 45.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 72.55 110.967 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.95 -175.96 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 62.3 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.23 -19.95 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.885 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -94.6 22.31 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 73.55 110.915 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 52.65 28.91 6.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.843 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -112.02 152.95 27.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.35 110.96 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.11 126.64 46.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.93 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -144.58 157.84 44.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.896 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.0 t -93.15 110.53 22.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 64.11 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.59 146.99 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.32 111.103 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.4 m -118.59 143.96 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 74.25 110.876 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -122.35 116.12 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.849 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -109.83 112.93 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.957 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 74.33 110.875 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.726 0.298 . . . . 74.32 110.917 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -126.92 161.77 27.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 73.33 110.921 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -165.69 140.06 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.88 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.9 140.05 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 74.03 111.168 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -112.09 86.13 2.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 64.43 110.927 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.56 -16.64 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 74.15 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.46 -25.31 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.914 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.64 147.45 71.3 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.698 0.761 . . . . 73.33 110.925 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.57 42.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.622 2.215 . . . . 75.21 112.369 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -68.78 -15.91 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 72.15 111.12 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 m -69.06 -29.83 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.837 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -23.15 57.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 72.1 110.882 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.2 t -51.49 -34.31 35.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.811 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -58.93 -34.78 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.975 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.51 133.54 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.931 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.88 -30.46 16.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.168 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -88.26 -14.66 37.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.862 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -81.14 -43.03 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.13 110.912 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.44 -63.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 61.43 110.905 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -28.23 40.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 70.54 110.858 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -69.83 -49.08 56.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.931 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.11 -28.52 65.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 72.54 110.813 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.9 m -79.13 -51.2 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.12 110.892 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -12.06 61.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.883 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -78.81 -62.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 73.41 110.883 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.39 -50.85 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 62.01 110.873 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -10.53 59.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 50.71 27.4 2.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 74.35 110.862 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.29 -164.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.148 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -134.2 -40.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.792 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -125.29 39.54 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.898 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.34 126.21 18.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.67 -0.776 . . . . 74.44 112.487 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -158.07 166.21 33.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 54.43 110.882 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.1 p -103.74 153.47 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.826 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -167.16 157.68 11.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.87 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -66.37 135.05 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.01 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -96.39 -176.17 3.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 74.4 110.843 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.58 -23.1 64.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.848 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -94.73 22.33 6.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.926 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 52.07 29.44 6.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 75.42 110.832 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -105.95 135.69 46.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -89.68 114.66 26.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 70.35 110.933 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -137.25 162.8 32.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -93.78 110.51 22.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.896 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.24 143.93 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 75.53 111.111 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.1 m -109.3 142.93 39.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 65.35 110.933 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -123.89 115.7 21.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.795 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -118.96 113.27 20.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.937 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.813 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.702 0.287 . . . . 70.02 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -146.05 159.68 42.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 75.32 110.82 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -163.83 139.21 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.951 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -99.87 139.92 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 74.14 111.182 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.13 93.97 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.894 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.65 -31.15 66.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.855 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -61.41 -25.35 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.887 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.04 137.64 97.18 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.674 0.75 . . . . 62.14 110.957 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 135.59 30.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.23 . . . . 74.52 112.396 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.13 -19.37 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.6 m -68.66 -34.38 75.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 75.41 110.836 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.1 -26.04 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.04 110.887 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.8 t -52.25 -32.11 35.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 64.5 110.888 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -56.03 -26.4 48.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.21 110.896 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -103.18 129.75 50.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.854 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.24 -49.97 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 32.2 111.126 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -58.09 -41.13 82.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.923 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -56.27 -47.14 79.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 72.35 110.835 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -63.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 74.12 110.841 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -29.44 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.877 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.18 -48.91 74.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 74.45 110.934 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.85 -27.59 49.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.87 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -74.25 -37.48 63.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 74.01 110.867 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.88 -10.99 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.23 110.847 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -79.99 -61.98 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 71.34 110.914 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -94.02 -51.89 4.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.887 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -11.16 60.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 62.42 110.929 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.5 t60 51.26 28.27 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.844 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.07 -165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 71.24 111.083 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -133.12 -39.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.34 110.862 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -129.04 39.49 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.84 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.78 124.52 12.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.733 -0.746 . . . . 65.42 112.406 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -155.23 166.22 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.957 0.408 . . . . 65.55 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.2 p -107.61 145.65 33.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 73.13 110.856 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -167.04 162.75 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 72.41 110.903 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -58.76 138.08 57.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.892 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.14 -169.83 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 75.21 110.91 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.68 -20.72 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.884 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -93.83 19.42 8.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.927 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? 56.26 24.86 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.887 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.95 145.02 37.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.52 125.21 37.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.924 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -148.17 166.17 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.03 110.866 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.2 t -94.28 110.67 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.791 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.77 140.87 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.132 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.2 m -111.41 135.26 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 60.12 110.902 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -120.32 119.74 34.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -111.61 122.85 48.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.903 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.885 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.733 0.301 . . . . 75.12 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.86 146.67 30.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -153.2 138.37 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.918 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 p -96.2 140.12 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 75.15 111.132 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.34 85.01 2.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 73.45 110.944 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.1 -20.52 58.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 75.32 110.937 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -57.91 -22.83 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.15 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.0 155.03 88.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.654 0.74 . . . . 71.4 110.915 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 121.68 8.38 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.645 2.23 . . . . 71.3 112.325 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.01 -15.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.33 111.143 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -69.68 -29.25 66.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 62.41 110.876 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -83.85 -12.15 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 75.34 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.4 t -51.8 -38.61 56.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -33.23 64.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 64.13 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.79 132.27 41.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -27.63 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.072 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -90.4 -15.42 31.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 74.51 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -82.22 -42.3 19.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 65.5 110.93 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -63.21 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 54.21 110.895 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -28.87 58.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.874 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -69.39 -42.06 75.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.35 110.949 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -77.99 -28.51 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.837 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.6 m -78.75 -51.51 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.886 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -68.7 -12.17 61.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.871 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -79.09 -62.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 65.14 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.09 -50.99 5.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 44.4 110.884 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -10.09 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 72.3 110.955 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.1 m80 51.21 26.59 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 70.45 110.832 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.46 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.117 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.96 -38.73 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 71.1 110.858 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 m -127.43 39.91 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.816 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.41 122.88 7.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 73.44 112.508 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -156.92 162.62 39.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.941 0.4 . . . . 72.44 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 p -103.35 151.12 23.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 60.35 110.827 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -161.24 154.1 20.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 70.35 110.902 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -58.95 134.01 56.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 72.05 110.999 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.42 -177.86 4.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.17 -19.15 64.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -101.19 24.68 9.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.917 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 57.41 23.49 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -103.19 127.45 50.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 71.33 110.921 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 mt -87.84 116.73 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 70.12 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -135.79 162.16 33.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.898 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.23 110.54 22.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 55.3 110.873 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -97.24 145.72 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 71.42 111.138 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.0 m -118.56 131.07 56.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.867 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.47 117.08 30.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.855 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -107.08 122.48 46.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.843 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 53.34 110.881 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.778 0.323 . . . . 73.34 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.43 155.93 47.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.92 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -162.21 141.64 9.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -90.51 139.13 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.069 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -113.37 85.37 2.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.938 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -60.84 -20.02 60.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 75.02 110.882 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.27 -29.7 66.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.887 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.19 142.34 75.35 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.7 0.762 . . . . 72.45 110.946 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 141.93 46.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.745 2.297 . . . . 75.55 112.3 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.24 -15.72 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 75.11 111.152 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -70.04 -33.43 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.845 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.81 -20.28 59.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 65.33 110.902 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 t -51.53 -35.3 40.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.89 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -57.79 -33.29 68.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 75.34 110.947 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.24 133.13 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 65.01 110.936 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.16 -29.36 16.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 51.52 111.077 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -89.21 -17.61 28.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 73.41 110.838 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -77.43 -44.02 30.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 60.41 110.865 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -63.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 74.31 110.94 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -53.65 -29.52 38.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.858 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.71 -50.08 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.918 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.29 -36.01 80.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 65.13 110.873 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.2 m -71.7 -53.78 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.04 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -67.03 -10.97 55.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 73.22 110.953 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -78.93 -62.32 1.74 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.894 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -94.76 -52.07 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.0 110.873 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -9.95 58.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.31 110.905 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 50.08 28.97 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.864 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.82 -165.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 72.31 111.125 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.62 -39.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -125.38 39.15 4.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.35 110.854 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.73 118.56 6.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 63.05 112.543 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -153.41 167.71 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 71.13 110.923 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.8 p -103.42 152.43 21.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 65.2 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.84 156.48 22.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.917 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -62.08 137.36 58.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.923 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.67 -177.82 4.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 74.12 110.893 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.59 -20.15 65.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.443 . . . . 74.51 110.871 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -100.9 25.18 8.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.42 110.913 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 56.95 24.12 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 72.3 110.822 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -102.6 128.6 49.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.825 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.39 116.41 27.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.939 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -135.28 164.37 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.915 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.0 t -94.14 110.43 22.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.84 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.54 144.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 71.53 111.104 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.2 m -110.98 147.76 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.874 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -130.88 121.78 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.884 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -122.53 114.91 21.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.152 -0.476 . . . . 75.45 110.937 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 73.34 110.93 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.3 tttm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.734 0.302 . . . . 74.53 110.948 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -123.07 162.06 23.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -167.5 146.38 4.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 73.25 110.922 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -109.56 139.81 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 71.33 111.133 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.85 125.6 42.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.54 -16.4 39.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 74.24 110.855 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -92.17 15.12 14.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 70.4 110.902 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -94.76 135.03 24.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.704 0.764 . . . . 73.03 110.898 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 122.33 8.99 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.653 2.236 . . . . 74.23 112.347 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.52 -26.03 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 75.43 111.115 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 m -65.76 -47.99 73.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 64.11 110.871 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -76.08 -18.97 58.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.53 110.863 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -31.82 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -53.92 -27.61 31.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 71.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.0 mt -82.43 125.94 31.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.908 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.2 -51.67 16.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 73.41 111.081 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -62.71 -17.14 60.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 65.13 110.829 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -79.94 -42.98 22.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.887 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -63.04 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.11 110.856 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -52.06 -30.52 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.834 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -69.81 -49.6 51.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 75.3 110.927 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.88 -27.98 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 75.31 110.877 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -79.02 -51.79 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -69.68 -10.71 59.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.89 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -79.35 -62.33 1.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 75.44 110.899 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -94.48 -51.78 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.923 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -71.24 -9.98 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.854 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 50.13 29.11 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 74.45 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.0 -164.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 75.4 111.139 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -133.1 -39.93 0.93 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.826 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 t -126.83 38.69 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 71.02 110.858 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.67 123.56 23.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 74.41 112.521 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -148.05 169.49 19.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 75.43 110.89 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.7 m -103.7 145.76 29.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.879 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.95 174.44 7.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.917 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -71.62 142.98 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 73.32 110.951 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.06 -176.35 3.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.1 -23.93 62.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.837 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -94.89 22.05 6.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.927 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 51.55 30.78 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.818 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.73 146.56 36.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.934 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -86.68 114.64 23.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.91 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -136.86 175.16 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.14 110.915 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 t -101.98 110.63 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 65.13 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.69 128.84 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 75.31 111.158 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.0 m -103.32 131.88 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.85 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -114.8 124.17 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.22 110.85 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -125.5 112.91 16.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.954 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 55.41 110.871 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.799 0.333 . . . . 75.04 110.918 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.05 146.47 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.872 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -156.93 143.53 18.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.4 110.897 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -101.49 140.05 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.12 111.148 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -122.8 89.68 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 60.23 110.895 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.79 -21.67 56.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 71.03 110.899 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.08 -24.32 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.897 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -72.17 153.7 92.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.645 0.736 . . . . 64.04 110.964 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.3 6.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.594 2.196 . . . . 72.34 112.393 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -68.13 -15.91 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.118 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -29.58 66.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.21 110.953 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -83.88 -11.46 56.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 75.05 110.935 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.7 t -50.68 -39.94 52.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.854 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.79 -35.05 63.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.891 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.34 134.46 44.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 72.42 110.899 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -28.94 16.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 75.32 111.05 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -90.31 -15.51 31.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 73.33 110.887 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -80.49 -43.44 20.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.878 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -63.14 1.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.898 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -52.35 -30.73 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.904 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -68.88 -50.33 50.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.949 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.65 -29.3 69.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.843 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.3 m -78.4 -54.07 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -67.19 -10.99 56.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.875 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 tp -79.29 -62.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 75.14 110.872 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -94.45 -52.01 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.21 110.873 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -70.96 -9.21 57.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 50.77 28.36 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.62 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 75.23 111.13 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -132.32 -40.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 62.43 110.858 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t -127.85 39.64 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 63.43 110.853 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.15 118.95 5.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.655 -0.783 . . . . 74.15 112.543 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -152.47 163.81 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 73.35 110.931 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.6 p -103.41 153.02 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 74.04 110.883 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -166.55 156.66 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -58.95 141.85 52.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 70.35 110.91 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.0 -176.74 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 73.23 110.886 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.85 -20.04 66.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.84 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -94.21 20.95 7.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.13 110.88 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 53.74 27.47 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 74.01 110.9 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -110.05 155.53 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 72.42 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.15 121.51 42.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.934 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -140.36 159.67 41.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 65.25 110.927 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.8 t -93.34 110.58 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 71.51 110.876 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.0 mp -101.31 146.87 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.32 111.078 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.5 m -118.63 152.46 36.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 74.54 110.861 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.98 128.75 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 74.12 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -121.27 121.1 36.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.936 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.2 m . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.854 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 mttt . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.87 0.367 . . . . 72.31 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -146.58 138.71 24.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.846 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -154.61 146.71 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.938 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -105.22 136.89 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 73.22 111.087 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -99.55 87.99 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.866 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.35 -32.42 62.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.843 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.54 -25.61 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 62.21 110.859 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.32 137.73 89.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.671 0.748 . . . . 74.51 110.917 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 138.43 37.96 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.71 2.274 . . . . 74.53 112.338 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.21 -15.85 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.118 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 m -69.19 -36.42 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.799 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -66.97 -26.7 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.867 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.5 t -52.38 -31.39 33.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.902 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.65 -27.25 58.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 65.04 110.85 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.9 135.36 43.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 75.21 110.89 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.04 -31.6 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 70.43 111.128 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -78.46 -20.42 50.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.14 -42.05 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 65.13 110.9 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -62.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.54 110.944 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -54.81 -30.72 57.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 71.21 110.907 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -66.68 -50.38 63.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 75.21 110.93 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -30.9 69.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 65.32 110.834 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.1 m -73.95 -53.14 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.915 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -67.33 -11.48 57.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.919 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -79.19 -62.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 62.43 110.904 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -94.47 -51.91 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.9 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -70.85 -9.37 57.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 73.35 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 m80 50.98 28.24 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.912 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.34 -166.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 75.02 111.127 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.56 -40.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 73.35 110.868 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -131.51 39.2 3.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 61.24 110.847 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.22 121.82 10.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.756 . . . . 73.23 112.485 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -152.74 167.17 29.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.86 0.362 . . . . 74.03 110.909 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.4 p -103.83 150.1 24.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 70.5 110.933 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -162.7 164.39 26.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.866 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -65.44 139.01 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.4 110.918 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.59 -175.24 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 70.34 110.886 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.04 -22.73 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.879 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -102.23 26.92 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.53 110.866 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 56.47 26.85 11.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.848 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -102.19 126.34 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 60.43 110.872 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.53 121.31 27.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.893 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -142.68 163.63 32.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 63.24 110.886 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.1 t -94.6 111.11 22.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -105.09 147.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 74.1 111.086 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.8 m -117.63 137.05 52.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 62.24 110.823 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -113.2 120.94 42.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.906 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -112.32 120.66 42.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.937 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.95 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 tptm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.77 0.319 . . . . 74.12 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -121.59 155.23 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 64.42 110.92 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -163.22 145.41 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.09 132.03 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 73.15 111.168 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -99.91 82.52 2.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 73.5 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -64.19 -16.63 62.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.847 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.6 -26.26 67.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 62.1 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.37 152.66 78.83 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 121.711 0.767 . . . . 72.24 110.896 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 137.66 36.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 74.21 112.382 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.2 -25.09 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 73.34 111.129 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 m -56.5 -30.08 62.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 62.34 110.909 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -71.52 -25.68 62.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.933 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.0 t -51.97 -33.05 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.854 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -54.83 -26.05 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.839 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 mt -103.05 130.8 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.879 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.86 -49.96 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.52 111.089 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -58.43 -35.7 72.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 73.13 110.911 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -61.49 -45.69 93.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 73.43 110.941 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -58.16 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.807 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.65 -27.3 69.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.887 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -64.41 -50.3 68.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.896 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.79 -33.06 62.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.829 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.7 m -68.81 -52.24 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 62.12 110.885 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -65.87 -12.51 54.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.949 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.2 tp -78.77 -62.4 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.51 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.63 -52.27 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 62.12 110.854 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -10.1 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.941 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 48.45 31.53 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.901 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.76 -161.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 72.11 111.084 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 -36.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.834 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t -133.54 41.53 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 63.41 110.798 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.76 124.12 9.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 71.44 112.494 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -153.55 171.38 18.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 73.35 110.869 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -114.8 145.84 41.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 53.21 110.865 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -168.22 167.1 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 74.53 110.906 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -58.68 121.26 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.954 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -87.74 -176.26 5.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 75.23 110.784 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -58.74 -23.22 59.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.905 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.3 15.43 13.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.881 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 57.2 23.88 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.87 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -109.91 135.75 50.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 72.24 110.873 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 mt -77.89 114.95 17.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.97 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -139.6 165.01 28.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.4 110.917 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 t -92.86 111.26 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.973 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -108.31 145.71 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 60.53 111.169 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.0 m -112.45 144.93 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.881 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.93 112.49 18.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 65.2 110.92 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -116.03 112.75 22.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.928 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 87.6 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.869 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.73 0.3 . . . . 74.33 110.908 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -146.07 154.62 42.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.842 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -159.32 139.43 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.881 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.6 p -104.68 130.93 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.14 111.114 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.54 89.19 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.968 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.59 -20.26 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 74.03 110.915 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -64.63 -15.41 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.823 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.92 158.35 70.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 71.3 111.002 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 128.31 15.88 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.765 2.31 . . . . 73.04 112.366 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -68.24 -25.41 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 74.43 111.098 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.0 m -57.62 -29.72 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.851 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -70.48 -27.63 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 74.44 110.898 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.05 -30.84 38.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 70.21 110.928 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -57.58 -23.9 53.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 mt -106.18 138.39 42.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.11 110.886 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.28 -39.7 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.51 111.066 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -72.06 -34.8 69.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.14 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -61.11 -46.1 91.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 72.51 110.937 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -59.97 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.11 110.88 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -61.22 -30.88 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.923 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.62 -49.49 77.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 72.22 110.956 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -78.68 -28.15 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 70.53 110.818 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.5 m -72.71 -32.63 65.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.866 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -87.3 -10.02 53.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.932 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.03 -61.78 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 75.42 110.911 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.29 -51.94 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 63.12 110.817 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -71.62 -11.85 61.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.55 110.943 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.8 m80 50.1 31.5 5.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 71.11 110.839 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.71 -162.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 71.12 111.19 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -134.15 -37.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 73.34 110.919 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -133.44 41.04 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.832 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.22 119.43 5.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.73 . . . . 62.22 112.432 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -149.89 164.49 35.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 73.1 110.899 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -103.49 151.56 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -164.52 172.85 12.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.916 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -69.31 140.89 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.94 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.78 169.95 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 72.44 110.867 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.15 -22.12 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.94 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -91.01 15.03 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.924 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 58.81 40.93 22.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.854 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -128.56 148.45 50.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.892 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 mt -90.82 124.14 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.925 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -143.48 162.05 36.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.891 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.8 t -94.41 110.71 22.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.839 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.62 143.49 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.123 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.4 m -117.88 129.9 55.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.16 120.92 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.22 110.9 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -113.56 120.35 40.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.5 110.908 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.3 110.916 179.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.841 0.353 . . . . 73.1 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -125.19 162.1 25.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.906 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -163.63 152.73 14.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 72.4 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -102.99 139.88 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 72.3 111.166 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.76 125.91 42.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.942 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.12 -16.79 28.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 70.33 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -92.0 15.1 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 63.2 110.959 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -98.91 134.84 21.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.652 0.739 . . . . 75.32 110.961 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.13 14.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.62 2.214 . . . . 75.15 112.375 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.96 -29.46 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.112 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -65.15 -50.27 66.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 70.42 110.855 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -76.32 -8.77 57.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.853 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -30.5 71.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 72.03 110.864 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -56.39 -25.4 49.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 75.41 110.874 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.65 139.81 47.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 72.15 110.836 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.2 -29.89 16.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 74.43 111.133 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -90.12 -14.1 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 72.42 110.944 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -81.92 -42.23 19.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.911 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -63.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 53.4 110.872 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -52.2 -31.51 32.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 75.1 110.863 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -69.38 -50.16 48.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 73.3 110.902 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -68.17 -28.29 67.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 74.4 110.837 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 m -78.85 -52.73 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 71.01 110.874 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -68.39 -11.64 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 72.13 110.855 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 tt -79.34 -62.24 1.75 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 62.33 110.875 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.21 -51.52 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 70.14 110.865 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -70.78 -9.44 57.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 72.03 110.925 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 51.16 27.56 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 75.1 110.796 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.15 -163.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.45 111.141 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -134.32 -41.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 74.31 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 t -128.22 38.9 3.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 62.31 110.835 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.38 123.89 23.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 74.3 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -145.46 170.82 15.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 74.33 110.818 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.1 m -103.94 145.63 29.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 64.41 110.88 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -162.22 162.77 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 74.52 110.863 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -76.75 147.9 37.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.932 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -104.48 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 72.35 110.828 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -63.42 -20.47 65.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 61.22 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -94.69 23.01 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.851 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 51.79 30.25 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 73.31 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -110.05 136.34 49.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.13 125.15 34.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.935 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -142.86 175.51 9.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.9 t -105.02 110.66 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.889 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.57 134.74 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 75.35 111.193 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 m -106.44 142.67 35.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.903 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.54 117.64 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.789 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -117.0 113.18 21.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.912 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 75.05 110.863 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.894 0.378 . . . . 74.25 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 m -130.56 172.93 11.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.33 110.918 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 154.84 50.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 73.44 110.906 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -146.59 155.95 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.905 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -158.99 143.96 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.98 140.33 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.13 111.073 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -122.64 86.88 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.915 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.2 -20.87 57.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 74.21 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -57.01 -26.49 60.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.846 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -73.31 156.22 89.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.733 . . . . 64.14 110.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 130.52 19.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.269 . . . . 74.21 112.356 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.18 -30.06 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 74.15 111.159 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 p -56.06 -29.75 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.813 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.94 -24.01 60.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.51 110.854 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.9 t -51.69 -34.93 40.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 75.04 110.89 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.96 -31.0 66.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.898 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -83.84 133.04 34.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 64.4 110.892 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.64 -28.64 17.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 75.43 111.044 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -90.38 -13.7 34.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -82.52 -39.97 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.25 110.97 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -63.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.878 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -57.93 -27.8 63.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.923 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -67.41 -45.51 75.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.944 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.07 -27.88 48.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 73.15 110.855 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.9 m -76.34 -55.42 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.923 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -65.92 -11.63 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.45 110.951 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.4 tt -79.11 -61.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 74.2 110.935 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -94.32 -52.05 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.856 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -10.02 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.915 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 51.94 25.95 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 71.51 110.895 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.11 -165.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 64.34 111.088 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -132.18 -40.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 73.32 110.887 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 t -126.51 39.73 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 65.01 110.884 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.69 116.71 3.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 70.31 112.487 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -150.47 162.81 39.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 71.31 110.817 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -103.42 152.05 22.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 64.32 110.887 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -158.7 152.69 23.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 75.42 110.85 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -58.62 136.5 57.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.957 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.55 -171.07 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.469 . . . . 74.22 110.93 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.12 -18.21 60.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 74.54 110.927 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -103.97 26.8 8.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 72.54 110.924 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? 57.52 23.4 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 75.35 110.91 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -102.03 128.48 48.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 63.32 110.931 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -89.32 116.18 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.88 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -131.61 158.39 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 65.41 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 t -92.9 109.59 21.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 44.12 110.863 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -97.59 136.72 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.23 111.132 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.7 m -111.48 129.13 56.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.02 110.906 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -114.87 120.73 40.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.845 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -108.05 118.7 37.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.898 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.0 t -131.23 137.75 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 70.31 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -137.94 120.89 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.42 110.937 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.914 -179.823 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.9 t70 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.845 0.355 . . . . 64.11 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 m -122.16 173.05 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -136.7 158.48 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.857 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -146.27 146.71 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 74.41 110.888 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -150.16 137.46 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.34 110.871 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.8 p -100.76 140.03 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 72.23 111.132 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.22 91.56 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 75.13 110.864 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.64 -21.87 64.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.31 110.913 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.2 -17.99 65.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 73.42 110.931 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -74.8 159.77 82.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 71.15 110.973 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 126.09 12.93 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.704 2.269 . . . . 74.43 112.354 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.07 -24.17 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 64.11 111.107 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -62.58 -30.32 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.849 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -68.54 -29.8 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.3 t -53.06 -30.11 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -58.15 -23.84 56.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 64.41 110.944 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -107.63 136.04 48.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.89 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.43 -29.09 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 63.11 111.116 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -81.12 -18.22 47.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.898 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -82.46 -40.47 21.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.862 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -61.69 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 74.24 110.89 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -30.17 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.865 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.98 -43.51 74.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.897 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -77.08 -27.82 54.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.883 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.3 m -78.77 -51.42 9.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.899 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -68.48 -12.39 61.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.35 110.904 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 tp -79.45 -62.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 71.02 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.79 -51.01 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 65.0 110.877 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -9.92 57.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 73.13 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 52.31 25.24 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 71.52 110.872 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.16 -165.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 74.44 111.12 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -132.57 -43.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 74.34 110.888 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -124.17 38.96 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.867 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.33 118.4 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 51.45 112.46 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -151.45 166.45 31.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 73.11 110.898 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.57 151.84 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.847 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -164.2 161.38 22.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 73.21 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -66.82 140.94 57.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 75.53 110.925 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.34 -176.41 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 71.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -64.31 -20.73 66.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 70.42 110.923 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -94.87 22.92 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.23 110.903 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 51.86 29.78 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.32 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -110.12 151.4 27.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.862 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 mt -101.29 120.8 40.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 70.11 110.883 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -139.14 161.58 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.43 110.882 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.48 110.43 22.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.896 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -100.33 144.51 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.34 111.175 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.5 m -118.2 129.82 55.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 72.44 110.897 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.55 109.03 20.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.35 110.859 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -102.02 126.52 48.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.913 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.8 t -140.22 147.69 40.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 63.22 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -103.93 104.92 14.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.881 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.2 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 72.44 110.932 -179.84 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 t0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.85 0.357 . . . . 74.22 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 m -136.94 173.18 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 64.33 110.891 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -121.23 149.14 43.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 73.11 110.952 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.2 144.28 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.889 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -158.31 152.14 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 73.22 110.94 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.92 140.13 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 72.33 111.098 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.66 90.97 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.0 110.833 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.09 -13.39 62.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.901 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -65.91 -19.3 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.01 110.89 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.99 154.95 52.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 75.55 110.934 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.09 36.92 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 74.12 112.354 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.67 -29.48 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 72.3 111.15 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -54.59 -28.77 48.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.838 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -29.96 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 65.32 110.901 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 t -52.83 -30.44 33.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 64.53 110.938 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -57.89 -23.52 53.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.834 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -107.8 135.13 49.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 73.15 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.94 -33.53 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 54.41 111.084 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -76.12 -20.54 57.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 75.14 110.934 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -79.46 -41.34 27.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.951 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -63.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 74.54 110.868 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.95 -28.52 57.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.877 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -67.96 -49.33 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 71.24 110.943 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -28.64 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 75.54 110.808 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.7 m -75.95 -55.38 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 63.14 110.879 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -66.54 -11.72 54.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 71.24 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -79.29 -61.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 74.11 110.95 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.17 -51.81 4.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 73.01 110.872 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -70.58 -9.84 57.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.927 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 51.87 26.36 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 71.32 110.864 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.65 -165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 74.35 111.092 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -131.61 -42.05 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 73.4 110.857 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -126.3 38.9 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.803 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.92 117.39 5.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 54.3 112.491 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -151.09 166.83 29.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 72.55 110.927 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -103.43 152.39 21.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 64.15 110.915 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -163.54 154.38 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.843 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -59.58 143.9 49.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 71.5 110.882 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -101.41 -174.19 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 73.53 110.932 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.28 -21.3 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.854 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -98.85 26.21 5.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 63.43 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 55.15 26.04 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 74.01 110.894 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -105.78 134.5 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 73.22 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -91.77 126.19 36.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 74.11 110.989 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -144.05 161.16 39.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.909 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.0 t -94.19 110.59 22.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.872 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.49 142.29 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 71.05 111.112 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.3 m -117.37 132.13 56.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.855 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -118.89 122.79 43.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 60.5 110.875 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -113.99 121.66 44.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.935 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.3 m -102.9 175.56 5.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.853 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -107.3 104.7 14.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.52 110.854 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 74.35 110.981 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.807 0.337 . . . . 72.5 110.812 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.8 m -128.44 173.84 9.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 72.34 110.883 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -129.03 157.58 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 74.4 110.917 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.49 144.59 29.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.909 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -149.99 147.53 27.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.817 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -95.73 138.88 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.32 111.128 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.91 73.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.883 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -68.6 -12.32 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 65.34 110.809 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -83.02 -19.72 36.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 73.03 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.79 156.86 61.16 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.683 0.754 . . . . 73.54 110.956 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 127.7 14.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.626 2.217 . . . . 72.45 112.326 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.41 -18.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 72.32 111.055 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -56.32 -29.38 61.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -75.53 -22.86 56.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 73.55 110.849 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 t -51.95 -33.49 37.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 74.33 110.903 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -55.27 -26.22 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.966 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 mt -104.17 136.48 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.932 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.0 -30.12 16.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 75.05 111.119 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -80.14 -20.91 43.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -79.31 -41.26 28.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.88 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -63.04 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.88 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.99 -27.98 55.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 70.33 110.922 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -68.26 -48.89 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 72.12 110.954 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.44 -28.09 61.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 71.32 110.829 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -76.89 -52.84 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 61.22 110.862 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -68.6 -12.5 61.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 74.32 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 tp -79.33 -62.26 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 73.32 110.963 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.76 -50.95 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 73.14 110.882 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -9.78 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.922 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 52.37 25.21 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 62.55 110.889 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.01 -165.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 71.5 111.107 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -132.98 -43.84 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 75.45 110.908 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 t -123.37 38.71 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 55.33 110.923 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.57 114.72 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 72.43 112.523 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -148.61 164.07 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 75.35 110.888 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 p -103.82 151.18 23.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 51.1 110.876 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -162.41 156.67 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.889 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -61.81 138.08 58.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 74.51 110.946 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.34 -178.76 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 62.3 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.72 -22.92 66.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.916 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -100.6 25.95 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.908 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 56.45 26.31 10.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 70.31 110.873 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -102.41 123.77 46.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.11 122.49 27.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.92 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -142.07 160.45 40.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 73.41 110.901 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.9 t -93.85 110.61 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 71.05 110.882 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -100.81 139.28 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.41 111.147 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 m -113.51 127.55 56.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.875 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 111.56 23.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.823 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -103.43 122.13 44.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.956 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.69 134.44 46.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 70.14 110.833 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -129.86 125.65 36.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.944 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.927 -179.823 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.851 0.358 . . . . 72.03 110.83 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 m -121.43 173.16 7.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.04 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -143.7 159.22 42.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.878 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.59 162.08 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 75.13 110.821 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -164.6 150.91 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 71.41 110.895 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.42 140.1 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.03 111.139 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.45 91.86 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.924 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -62.67 -20.24 64.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 71.32 110.91 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.0 -21.48 59.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 75.33 110.826 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -72.84 159.93 84.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 61.44 110.924 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 120.79 7.52 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 74.2 112.317 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.12 -37.46 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 75.53 111.137 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.3 m -62.77 -50.05 72.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.01 110.861 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -73.11 -15.33 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -33.03 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 74.4 110.967 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -53.1 -27.07 18.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.825 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -79.9 129.87 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 74.32 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.23 -26.99 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 73.12 111.112 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -80.55 -22.18 41.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.798 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -82.26 -39.38 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.943 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -60.66 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 63.23 110.913 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -30.83 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.25 110.952 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -66.32 -45.54 79.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.992 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -76.9 -33.27 57.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 74.14 110.836 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -68.3 -54.18 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.945 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -66.55 -11.38 52.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 74.54 110.903 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -62.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 72.31 110.883 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -94.78 -51.93 4.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 64.42 110.897 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.83 -10.04 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 74.2 110.949 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 50.64 27.93 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.51 110.882 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.91 -165.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 73.34 111.097 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -37.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 74.55 110.869 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -130.51 38.78 3.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 74.42 110.919 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.17 122.83 19.36 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.76 -0.733 . . . . 73.41 112.435 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -146.31 168.45 21.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.369 . . . . 75.51 110.876 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.5 m -103.78 144.35 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -161.31 167.01 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.864 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -79.52 149.27 31.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 74.11 110.898 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -106.32 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 72.45 110.842 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.05 -20.98 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.914 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -94.83 22.69 6.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 73.51 110.914 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? 52.28 29.49 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.881 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -108.46 139.38 43.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.891 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -90.95 126.38 36.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.892 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -145.22 175.34 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.943 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 t -104.15 110.75 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 61.11 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -100.01 128.23 52.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 75.51 111.142 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 m -109.14 135.26 50.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 71.34 110.866 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.81 122.94 47.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.897 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -113.49 113.92 25.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 65.02 110.944 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 t -123.34 138.28 54.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 75.1 110.929 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -92.24 100.96 13.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.862 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.7 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.936 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 72.24 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.4 m -114.72 173.08 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 70.13 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -114.08 121.9 45.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.51 110.955 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -127.71 159.28 35.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.898 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.12 146.18 10.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 63.24 110.868 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.1 p -96.33 133.98 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 61.33 111.152 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.7 90.31 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.892 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.31 -16.51 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 64.35 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -19.47 61.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.867 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -94.97 153.0 39.96 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.694 0.759 . . . . 74.23 110.96 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 146.84 61.04 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.275 . . . . 74.15 112.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.3 t -68.39 -15.77 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 63.53 111.084 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -57.63 -34.74 69.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.866 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -59.83 -34.9 73.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 74.35 110.83 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.74 -26.48 45.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.908 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -63.47 -21.28 66.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 75.03 110.899 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 mt -116.26 136.23 53.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.91 -25.08 22.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 73.22 111.06 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -86.9 -21.82 26.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 74.12 110.822 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -80.1 -40.69 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 71.3 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -62.09 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 60.2 110.86 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -57.31 -32.31 66.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -62.73 -49.73 73.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.4 111.004 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -73.16 -30.28 63.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.513 . . . . 74.23 110.838 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 m -69.52 -42.27 74.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 74.52 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -78.73 -9.54 59.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 72.32 110.893 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.04 -61.87 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 75.34 110.911 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -94.33 -52.28 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.803 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -9.86 58.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.916 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 m80 51.07 27.93 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 72.34 110.816 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.7 -165.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 65.34 111.087 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -131.02 -39.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.837 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -133.48 39.58 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 71.43 110.87 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.63 128.61 24.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 73.1 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -150.19 171.78 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.926 0.393 . . . . 73.33 110.885 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 p -103.19 157.6 16.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.955 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -167.38 163.71 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 73.31 110.881 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -76.4 138.74 40.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 62.35 110.96 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -99.79 -176.19 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.864 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -63.02 -21.74 66.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.905 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -94.86 23.08 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 71.04 110.901 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 51.61 30.17 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.15 110.917 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -109.14 146.66 33.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.23 110.809 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -99.99 119.87 38.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 62.44 110.892 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -133.68 167.56 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 72.52 110.945 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.6 t -94.46 110.45 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 75.21 110.87 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.84 145.51 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 75.2 111.147 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.9 m -118.21 137.04 53.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 65.03 110.903 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.8 125.22 48.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 74.1 110.845 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -116.42 112.81 21.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.53 110.916 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.9 m -103.26 128.81 50.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 62.14 110.879 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -109.16 106.6 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.54 110.851 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.8 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.916 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.868 0.366 . . . . 63.04 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 m -133.3 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 63.02 110.857 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.65 151.36 50.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 75.25 110.869 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -146.16 158.14 43.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.878 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -158.28 142.72 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.61 139.59 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.33 111.134 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.2 94.93 5.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.972 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.52 -33.22 75.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.11 -24.85 63.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.909 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -71.57 136.43 83.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.683 0.754 . . . . 74.4 110.936 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 134.69 28.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 71.54 112.371 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.95 -15.86 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 64.24 111.149 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.6 m -57.72 -29.91 65.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 65.25 110.821 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -80.2 -22.65 41.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.853 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -53.28 -31.75 45.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 73.3 110.879 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -57.47 -23.28 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 75.41 110.95 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.5 mt -107.51 135.07 49.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.2 -31.31 16.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 73.53 111.067 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -79.01 -17.37 55.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 75.44 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -82.21 -41.25 20.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 73.04 110.895 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -61.47 -61.73 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.891 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -29.88 63.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.939 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.45 -45.74 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.3 110.907 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -28.15 57.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 73.45 110.889 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m -76.79 -51.2 11.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.918 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -68.8 -12.21 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.938 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -79.17 -62.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.894 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -94.12 -50.98 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 64.03 110.844 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -10.47 59.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.845 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 51.48 26.19 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 73.24 110.901 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.39 -164.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.33 111.065 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -133.4 -40.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 74.53 110.857 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 m -126.21 38.59 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 65.12 110.879 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.37 118.84 7.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.77 -0.728 . . . . 75.21 112.483 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -150.86 167.79 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 73.24 110.857 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 p -103.72 152.47 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.4 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.07 159.99 11.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.843 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -65.17 140.56 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.876 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -102.94 -177.45 3.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.915 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -62.63 -20.96 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.908 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -94.9 22.94 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.23 110.904 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? 51.6 30.51 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.898 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -111.12 149.16 31.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.52 110.859 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.5 mt -100.88 122.5 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.925 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -143.16 165.91 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.946 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.35 110.79 22.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 62.21 110.937 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -101.55 137.68 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 62.54 111.043 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 m -112.15 131.74 55.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.949 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -120.33 121.99 39.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.03 110.857 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -113.71 113.21 24.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.951 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.0 t -121.51 141.43 51.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 55.24 110.878 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -118.06 108.97 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 63.2 110.824 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.7 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 75.15 110.834 -179.843 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.89 0.376 . . . . 71.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 m -133.64 173.07 11.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.891 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -116.27 118.26 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.897 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.3 148.91 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 75.51 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -156.23 145.72 20.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.885 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -98.23 140.46 18.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.12 111.159 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -112.39 84.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.958 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -63.61 -16.81 61.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 74.05 110.89 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -28.34 69.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.31 110.845 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.84 148.67 72.82 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 74.55 110.918 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 141.51 45.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.622 2.214 . . . . 74.12 112.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.7 t -68.36 -18.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.074 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -64.66 -30.53 71.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.22 110.842 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.05 -26.92 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 73.04 110.869 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.72 -31.6 38.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 70.31 110.919 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -56.38 -25.25 49.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 70.45 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.1 mt -103.68 136.64 43.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 72.31 110.975 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.55 -39.61 12.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.074 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -71.9 -19.68 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 72.04 110.893 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -43.4 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.23 110.89 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -62.64 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.931 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -54.13 -30.65 49.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.904 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -66.88 -50.2 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.96 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.56 -29.77 65.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.506 . . . . 74.24 110.89 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.1 m -74.34 -53.75 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 74.22 110.849 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -66.7 -11.62 55.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.93 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -79.14 -62.1 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 75.55 110.949 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -94.39 -52.15 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.851 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -10.05 58.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 74.41 110.921 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 50.56 27.61 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 73.44 110.894 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.11 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.01 111.12 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -132.25 -39.76 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.867 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.5 t -128.89 38.82 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.852 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.73 120.07 8.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 71.44 112.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -149.45 168.4 23.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 71.14 110.86 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.4 p -103.41 154.17 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 75.21 110.889 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -165.05 159.9 18.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 74.31 110.892 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -70.45 132.91 46.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 73.15 110.959 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -89.6 -176.35 4.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 73.13 110.925 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.98 -22.61 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 71.12 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -99.41 25.75 6.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 74.12 110.82 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 54.35 27.29 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 71.51 110.879 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -101.83 124.2 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.897 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mp -85.23 114.8 22.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.964 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -134.16 166.34 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.23 110.883 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.7 t -94.48 110.44 22.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.04 110.874 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 142.71 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.54 111.102 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.1 m -116.64 133.91 55.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 72.24 110.874 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -118.17 124.77 48.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 73.45 110.886 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -122.44 113.16 18.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.904 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -118.83 137.11 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 60.4 110.849 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -111.31 106.07 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 70.3 110.883 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.925 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.804 0.335 . . . . 74.12 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -132.33 172.97 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 70.04 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 120.56 37.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 75.45 110.904 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -123.03 147.92 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 74.51 110.829 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -154.93 141.52 18.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 75.44 110.91 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.2 p -104.09 140.1 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.31 111.103 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.04 91.72 3.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 73.32 110.927 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.11 -19.56 65.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.021 -0.536 . . . . 64.25 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.64 -19.6 58.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 71.45 110.888 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -76.52 156.11 83.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.695 0.76 . . . . 75.24 110.914 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 127.98 15.29 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 70.44 112.322 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.5 t -68.28 -20.51 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.066 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m -69.54 -29.62 67.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 72.33 110.921 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.68 -23.71 59.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 74.11 110.9 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.8 t -51.38 -35.12 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 64.34 110.914 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.17 -31.58 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 75.04 110.894 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -81.01 135.16 35.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.918 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.68 -29.21 16.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.151 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -90.18 -15.99 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.33 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -80.33 -42.85 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.964 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.51 110.923 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -54.98 -29.55 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 72.03 110.858 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -68.7 -50.0 54.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 75.54 110.886 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.9 -28.13 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 75.12 110.901 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.7 m -78.53 -52.6 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 71.43 110.837 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -68.53 -12.2 60.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 75.01 110.948 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 tt -79.18 -62.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 63.42 110.866 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -93.91 -50.96 5.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.843 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -10.23 58.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 73.54 110.92 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 t60 52.25 24.9 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.928 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.65 -163.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.53 111.072 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -134.43 -40.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.11 110.891 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.2 m -124.38 39.28 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 71.31 110.892 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.58 122.13 10.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 55.51 112.529 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -152.69 165.01 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 74.45 110.898 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.57 153.12 20.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 54.33 110.882 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -165.88 161.78 17.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.879 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -60.79 136.02 57.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 73.25 110.894 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -101.21 -175.98 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 73.45 110.901 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -64.58 -20.58 66.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 55.13 110.897 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -93.91 19.12 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 75.2 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? 55.98 25.18 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.872 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -108.97 159.29 16.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.847 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 mt -101.56 117.03 34.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.958 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -132.81 159.93 38.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 62.23 110.864 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.9 t -93.22 109.84 21.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.875 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mp -99.01 146.41 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 72.43 111.137 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.3 m -118.72 131.11 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 51.35 110.945 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.56 116.89 29.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 75.45 110.858 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -113.39 113.11 24.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 70.14 110.898 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -122.68 140.88 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 63.01 110.895 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -103.34 104.43 14.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.884 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.8 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.894 -179.85 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.865 0.364 . . . . 74.04 110.792 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 m -124.57 173.23 8.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 64.55 110.874 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -113.93 117.32 31.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 75.43 110.886 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.66 162.13 22.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.836 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -164.98 148.84 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.968 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.34 136.29 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 74.43 111.137 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.72 88.07 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 74.33 110.948 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.73 -19.38 64.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 60.02 110.872 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.22 -19.28 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.12 110.851 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -81.77 154.47 70.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.631 0.729 . . . . 72.11 110.907 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 125.69 12.45 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.749 2.3 . . . . 73.23 112.335 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.32 -15.95 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 74.12 111.113 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 m -61.97 -29.47 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.873 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -78.37 -18.82 54.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 74.1 110.895 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.2 t -51.09 -36.96 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.891 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -57.6 -32.59 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 74.52 110.863 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -81.61 134.38 35.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.922 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.09 -29.21 16.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 65.24 111.096 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -90.11 -17.52 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 75.35 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -77.35 -44.21 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.04 110.885 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -63.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 70.43 110.883 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -54.22 -28.22 39.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -69.03 -49.52 56.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.913 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -69.24 -30.81 69.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.835 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.6 m -76.52 -53.56 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 75.33 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -67.18 -11.38 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.892 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tt -78.99 -62.29 1.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 63.43 110.927 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.51 -51.89 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 72.01 110.916 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -70.92 -10.08 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 74.43 110.897 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.0 m80 50.51 28.62 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 74.35 110.847 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.82 -165.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 75.05 111.097 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -131.94 -40.37 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -125.63 38.83 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.34 110.858 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.44 116.39 4.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.668 -0.777 . . . . 62.03 112.504 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -152.16 165.8 33.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 70.32 110.942 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.5 p -103.67 152.71 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.3 110.888 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -165.56 155.0 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 71.23 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -58.88 144.07 45.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 72.55 110.967 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.95 -175.96 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 62.3 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.23 -19.95 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.885 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -94.6 22.31 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 73.55 110.915 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 52.65 28.91 6.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.843 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -112.02 152.95 27.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.35 110.96 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.11 126.64 46.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.93 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -144.58 157.84 44.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.22 110.896 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.0 t -93.15 110.53 22.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 64.11 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.59 146.99 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.32 111.103 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.4 m -118.59 143.96 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 74.25 110.876 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -122.35 116.12 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 75.41 110.849 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -109.83 112.93 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.957 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 95.9 m -102.85 128.61 49.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 74.33 110.875 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -110.12 102.96 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.51 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 74.22 110.952 -179.854 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.847 0.356 . . . . 74.0 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 m -125.28 172.77 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.79 118.34 33.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.917 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -126.92 161.77 27.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 73.33 110.921 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -165.69 140.06 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.88 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.9 140.05 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 74.03 111.168 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -112.09 86.13 2.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 64.43 110.927 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.56 -16.64 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 74.15 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.46 -25.31 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.914 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.64 147.45 71.3 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.698 0.761 . . . . 73.33 110.925 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.57 42.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.622 2.215 . . . . 75.21 112.369 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -68.78 -15.91 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 72.15 111.12 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 m -69.06 -29.83 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.837 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -23.15 57.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 72.1 110.882 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.2 t -51.49 -34.31 35.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 74.22 110.811 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -58.93 -34.78 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.975 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.51 133.54 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.931 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.88 -30.46 16.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.168 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -88.26 -14.66 37.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.862 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -81.14 -43.03 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 63.13 110.912 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.44 -63.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 61.43 110.905 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -28.23 40.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 70.54 110.858 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -69.83 -49.08 56.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.931 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.11 -28.52 65.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 72.54 110.813 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.9 m -79.13 -51.2 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.12 110.892 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -12.06 61.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.883 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 tt -78.81 -62.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 73.41 110.883 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.39 -50.85 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 62.01 110.873 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -10.53 59.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 50.71 27.4 2.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 74.35 110.862 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.29 -164.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.12 111.148 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -134.2 -40.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.792 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -125.29 39.54 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.898 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.34 126.21 18.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.67 -0.776 . . . . 74.44 112.487 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -158.07 166.21 33.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 54.43 110.882 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.1 p -103.74 153.47 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.826 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -167.16 157.68 11.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 73.44 110.87 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -66.37 135.05 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.01 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -96.39 -176.17 3.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 74.4 110.843 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.58 -23.1 64.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.848 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -94.73 22.33 6.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.926 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 52.07 29.44 6.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 75.42 110.832 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -105.95 135.69 46.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -89.68 114.66 26.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 70.35 110.933 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -137.25 162.8 32.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 74.42 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -93.78 110.51 22.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.896 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.24 143.93 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 75.53 111.111 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.1 m -109.3 142.93 39.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 65.35 110.933 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -123.89 115.7 21.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.795 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -118.96 113.27 20.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.937 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -123.11 131.96 53.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.813 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -112.7 101.65 9.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 74.51 110.963 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.876 -179.82 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.784 0.326 . . . . 74.33 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.04 172.87 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 70.04 110.919 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -126.06 153.08 44.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 70.02 111.014 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -146.05 159.68 42.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 75.32 110.82 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -163.83 139.21 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.951 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -99.87 139.92 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 74.14 111.182 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.13 93.97 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.894 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.65 -31.15 66.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.855 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -61.41 -25.35 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.887 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.04 137.64 97.18 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.674 0.75 . . . . 62.14 110.957 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 135.59 30.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.23 . . . . 74.52 112.396 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.13 -19.37 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.6 m -68.66 -34.38 75.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 75.41 110.836 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.1 -26.04 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.04 110.887 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.8 t -52.25 -32.11 35.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 64.5 110.888 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -56.03 -26.4 48.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.21 110.896 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -103.18 129.75 50.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.854 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.24 -49.97 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 32.2 111.126 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -58.09 -41.13 82.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.923 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -56.27 -47.14 79.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 72.35 110.835 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -63.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 74.12 110.841 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -29.44 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.877 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.18 -48.91 74.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 74.45 110.934 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.85 -27.59 49.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.87 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -74.25 -37.48 63.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 74.01 110.867 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.88 -10.99 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.23 110.847 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tt -79.99 -61.98 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 71.34 110.914 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -94.02 -51.89 4.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 74.22 110.887 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -11.16 60.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 62.42 110.929 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.5 t60 51.26 28.27 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.844 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.07 -165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 71.24 111.083 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -133.12 -39.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.34 110.862 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -129.04 39.49 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.84 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.78 124.52 12.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.733 -0.746 . . . . 65.42 112.406 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -155.23 166.22 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.957 0.408 . . . . 65.55 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.2 p -107.61 145.65 33.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 73.13 110.856 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -167.04 162.75 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 72.41 110.903 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -58.76 138.08 57.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.892 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.14 -169.83 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 75.21 110.91 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.68 -20.72 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.884 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -93.83 19.42 8.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.927 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? 56.26 24.86 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.887 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.95 145.02 37.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.52 125.21 37.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.924 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -148.17 166.17 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.03 110.866 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.2 t -94.28 110.67 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 73.02 110.791 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mp -103.77 140.87 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 75.41 111.132 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.2 m -111.41 135.26 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 60.12 110.902 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -120.32 119.74 34.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.846 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -111.61 122.85 48.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.903 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.8 t -131.73 145.71 51.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -114.35 110.45 19.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.873 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 73.41 110.967 -179.851 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.834 0.35 . . . . 63.24 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.7 m -134.12 173.76 11.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.881 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -130.46 159.23 37.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 75.12 110.895 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.86 146.67 30.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -153.2 138.37 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.918 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 p -96.2 140.12 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 75.15 111.132 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.34 85.01 2.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 73.45 110.944 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.1 -20.52 58.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 75.32 110.937 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -57.91 -22.83 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.15 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.0 155.03 88.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.654 0.74 . . . . 71.4 110.915 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 121.68 8.38 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.645 2.23 . . . . 71.3 112.325 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.01 -15.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.33 111.143 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -69.68 -29.25 66.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 62.41 110.876 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -83.85 -12.15 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 75.34 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.4 t -51.8 -38.61 56.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 75.33 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -33.23 64.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 64.13 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.79 132.27 41.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -27.63 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.072 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -90.4 -15.42 31.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 74.51 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -82.22 -42.3 19.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 65.5 110.93 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -63.21 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 54.21 110.895 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -28.87 58.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.874 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -69.39 -42.06 75.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.35 110.949 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -77.99 -28.51 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.837 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.6 m -78.75 -51.51 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.886 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -68.7 -12.17 61.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.871 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -79.09 -62.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 65.14 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.09 -50.99 5.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 44.4 110.884 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -10.09 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 72.3 110.955 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.1 m80 51.21 26.59 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 70.45 110.832 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.46 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.117 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.96 -38.73 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 71.1 110.858 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 m -127.43 39.91 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.816 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.41 122.88 7.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 73.44 112.508 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -156.92 162.62 39.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.941 0.4 . . . . 72.44 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 p -103.35 151.12 23.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 60.35 110.827 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -161.24 154.1 20.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 70.35 110.902 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -58.95 134.01 56.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 72.05 110.999 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.42 -177.86 4.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.15 -0.477 . . . . 71.22 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.17 -19.15 64.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -101.19 24.68 9.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.917 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 57.41 23.49 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -103.19 127.45 50.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 71.33 110.921 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 mt -87.84 116.73 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 70.12 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -135.79 162.16 33.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.898 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.23 110.54 22.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 55.3 110.873 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -97.24 145.72 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 71.42 111.138 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.0 m -118.56 131.07 56.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.867 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.47 117.08 30.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.855 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -107.08 122.48 46.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 74.24 110.843 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.13 128.33 50.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 53.34 110.881 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -103.13 103.88 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.948 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 75.04 110.881 -179.834 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.812 0.339 . . . . 64.35 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -120.18 172.91 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 71.04 110.877 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.72 126.49 54.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.901 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.43 155.93 47.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.92 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -162.21 141.64 9.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -90.51 139.13 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.069 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -113.37 85.37 2.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 72.23 110.938 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -60.84 -20.02 60.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 75.02 110.882 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.27 -29.7 66.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.887 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.19 142.34 75.35 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.7 0.762 . . . . 72.45 110.946 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 141.93 46.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.745 2.297 . . . . 75.55 112.3 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.24 -15.72 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 75.11 111.152 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -70.04 -33.43 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 74.43 110.845 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.81 -20.28 59.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 65.33 110.902 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 t -51.53 -35.3 40.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.89 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -57.79 -33.29 68.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 75.34 110.947 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.24 133.13 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 65.01 110.936 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.16 -29.36 16.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 51.52 111.077 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -89.21 -17.61 28.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 73.41 110.838 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -77.43 -44.02 30.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 60.41 110.865 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -63.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 74.31 110.94 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -53.65 -29.52 38.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.858 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.71 -50.08 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.918 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.29 -36.01 80.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 65.13 110.873 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.2 m -71.7 -53.78 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.04 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -67.03 -10.97 55.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 73.22 110.953 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -78.93 -62.32 1.74 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.894 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -94.76 -52.07 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.0 110.873 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -9.95 58.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.31 110.905 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 50.08 28.97 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.864 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.82 -165.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 72.31 111.125 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.62 -39.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 75.42 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -125.38 39.15 4.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.35 110.854 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.73 118.56 6.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 63.05 112.543 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -153.41 167.71 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 71.13 110.923 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.8 p -103.42 152.43 21.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 65.2 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.84 156.48 22.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.917 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -62.08 137.36 58.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.923 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.67 -177.82 4.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 74.12 110.893 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.59 -20.15 65.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.443 . . . . 74.51 110.871 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -100.9 25.18 8.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 75.42 110.913 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 56.95 24.12 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 72.3 110.822 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -102.6 128.6 49.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.825 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.39 116.41 27.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.939 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -135.28 164.37 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.915 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.0 t -94.14 110.43 22.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 73.23 110.84 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.54 144.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 71.53 111.104 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.2 m -110.98 147.76 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.874 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -130.88 121.78 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.884 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -122.53 114.91 21.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.152 -0.476 . . . . 75.45 110.937 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.97 171.86 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 73.34 110.93 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -130.64 110.91 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.22 110.926 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 64.13 110.915 -179.818 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.855 0.36 . . . . 73.52 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -126.92 172.93 10.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 70.34 110.908 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -118.64 121.03 39.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.948 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -123.07 162.06 23.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -167.5 146.38 4.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 73.25 110.922 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -109.56 139.81 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 71.33 111.133 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.85 125.6 42.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.54 -16.4 39.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 74.24 110.855 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -92.17 15.12 14.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 70.4 110.902 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -94.76 135.03 24.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.704 0.764 . . . . 73.03 110.898 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 122.33 8.99 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.653 2.236 . . . . 74.23 112.347 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.52 -26.03 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 75.43 111.115 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 m -65.76 -47.99 73.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 64.11 110.871 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -76.08 -18.97 58.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.53 110.863 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -31.82 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -53.92 -27.61 31.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 71.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.0 mt -82.43 125.94 31.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.908 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.2 -51.67 16.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 73.41 111.081 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -62.71 -17.14 60.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 65.13 110.829 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -79.94 -42.98 22.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.887 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -63.04 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.11 110.856 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -52.06 -30.52 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.834 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -69.81 -49.6 51.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 75.3 110.927 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.88 -27.98 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 75.31 110.877 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -79.02 -51.79 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -69.68 -10.71 59.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 73.03 110.89 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -79.35 -62.33 1.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 75.44 110.899 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -94.48 -51.78 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 75.04 110.923 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -71.24 -9.98 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.854 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 50.13 29.11 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 74.45 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.0 -164.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 75.4 111.139 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -133.1 -39.93 0.93 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.826 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 t -126.83 38.69 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 71.02 110.858 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.67 123.56 23.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 74.41 112.521 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -148.05 169.49 19.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 75.43 110.89 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.7 m -103.7 145.76 29.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.879 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.95 174.44 7.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.917 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -71.62 142.98 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 73.32 110.951 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.06 -176.35 3.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.1 -23.93 62.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.837 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -94.89 22.05 6.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.927 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 51.55 30.78 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.818 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.73 146.56 36.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.934 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mt -86.68 114.64 23.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 74.45 110.91 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -136.86 175.16 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 75.14 110.915 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 t -101.98 110.63 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 65.13 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.69 128.84 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 75.31 111.158 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.0 m -103.32 131.88 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.85 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -114.8 124.17 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 71.22 110.85 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -125.5 112.91 16.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.954 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -122.91 141.97 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 55.41 110.871 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -128.28 124.43 36.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 62.42 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.921 -179.845 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 75.02 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m -115.66 173.71 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 72.01 110.96 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.5 152.64 38.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.918 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.05 146.47 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.872 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -156.93 143.53 18.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.4 110.897 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -101.49 140.05 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.12 111.148 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -122.8 89.68 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 60.23 110.895 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.79 -21.67 56.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 71.03 110.899 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.08 -24.32 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.897 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -72.17 153.7 92.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.645 0.736 . . . . 64.04 110.964 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.3 6.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.594 2.196 . . . . 72.34 112.393 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -68.13 -15.91 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.118 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -29.58 66.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.21 110.953 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -83.88 -11.46 56.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 75.05 110.935 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.7 t -50.68 -39.94 52.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.854 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.79 -35.05 63.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.891 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.34 134.46 44.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 72.42 110.899 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -28.94 16.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 75.32 111.05 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -90.31 -15.51 31.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 73.33 110.887 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -80.49 -43.44 20.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 74.52 110.878 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -63.14 1.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.898 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -52.35 -30.73 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.904 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -68.88 -50.33 50.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.949 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.65 -29.3 69.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.843 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.3 m -78.4 -54.07 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -67.19 -10.99 56.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.875 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 tp -79.29 -62.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 75.14 110.872 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -94.45 -52.01 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.21 110.873 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -70.96 -9.21 57.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 50.77 28.36 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.62 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 75.23 111.13 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -132.32 -40.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 62.43 110.858 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t -127.85 39.64 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 63.43 110.853 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.15 118.95 5.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.655 -0.783 . . . . 74.15 112.543 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -152.47 163.81 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 73.35 110.931 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.6 p -103.41 153.02 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 74.04 110.883 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -166.55 156.66 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -58.95 141.85 52.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 70.35 110.91 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.0 -176.74 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 73.23 110.886 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.85 -20.04 66.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.84 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -94.21 20.95 7.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.13 110.88 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 53.74 27.47 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 74.01 110.9 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -110.05 155.53 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 72.42 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.15 121.51 42.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.934 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -140.36 159.67 41.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 65.25 110.927 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.8 t -93.34 110.58 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 71.51 110.876 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.0 mp -101.31 146.87 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.32 111.078 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.5 m -118.63 152.46 36.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 74.54 110.861 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.98 128.75 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 74.12 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -121.27 121.1 36.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.936 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.2 m -102.66 136.76 41.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.854 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -111.77 100.98 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.5 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.898 -179.831 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.833 0.349 . . . . 70.54 110.872 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 m -123.79 172.93 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 71.51 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -134.52 152.55 51.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.901 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -146.58 138.71 24.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 74.14 110.846 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -154.61 146.71 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.938 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -105.22 136.89 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 73.22 111.087 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -99.55 87.99 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 73.41 110.866 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.35 -32.42 62.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.843 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.54 -25.61 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 62.21 110.859 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.32 137.73 89.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.671 0.748 . . . . 74.51 110.917 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 138.43 37.96 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.71 2.274 . . . . 74.53 112.338 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.21 -15.85 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.118 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 m -69.19 -36.42 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.799 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -66.97 -26.7 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.867 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.5 t -52.38 -31.39 33.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.902 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.65 -27.25 58.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 65.04 110.85 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.9 135.36 43.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 75.21 110.89 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.04 -31.6 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 70.43 111.128 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -78.46 -20.42 50.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.14 -42.05 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 65.13 110.9 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -62.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 75.54 110.944 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -54.81 -30.72 57.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 71.21 110.907 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -66.68 -50.38 63.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 75.21 110.93 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -30.9 69.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 65.32 110.834 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.1 m -73.95 -53.14 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.915 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -67.33 -11.48 57.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 74.24 110.919 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -79.19 -62.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 62.43 110.904 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -94.47 -51.91 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.9 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -70.85 -9.37 57.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 73.35 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 m80 50.98 28.24 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 75.32 110.912 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.34 -166.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 75.02 111.127 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.56 -40.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 73.35 110.868 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -131.51 39.2 3.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 61.24 110.847 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.22 121.82 10.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.756 . . . . 73.23 112.485 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -152.74 167.17 29.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.86 0.362 . . . . 74.03 110.909 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.4 p -103.83 150.1 24.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 70.5 110.933 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -162.7 164.39 26.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.866 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -65.44 139.01 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.4 110.918 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.59 -175.24 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 70.34 110.886 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.04 -22.73 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.879 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -102.23 26.92 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.53 110.866 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 56.47 26.85 11.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.848 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -102.19 126.34 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 60.43 110.872 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.53 121.31 27.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.893 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -142.68 163.63 32.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 63.24 110.886 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.1 t -94.6 111.11 22.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -105.09 147.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 74.1 111.086 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.8 m -117.63 137.05 52.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 62.24 110.823 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -113.2 120.94 42.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.906 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -112.32 120.66 42.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.937 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 t -145.72 128.41 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.95 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -112.99 105.68 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.54 110.872 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.4 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 62.45 110.9 -179.855 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.897 0.38 . . . . 60.54 110.82 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.5 m -121.87 173.34 7.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 65.43 110.857 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -111.42 114.86 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.886 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -121.59 155.23 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 64.42 110.92 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -163.22 145.41 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.09 132.03 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 73.15 111.168 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -99.91 82.52 2.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 73.5 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -64.19 -16.63 62.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.847 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.6 -26.26 67.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 62.1 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.37 152.66 78.83 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 121.711 0.767 . . . . 72.24 110.896 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 137.66 36.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 74.21 112.382 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.2 -25.09 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 73.34 111.129 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 m -56.5 -30.08 62.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 62.34 110.909 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -71.52 -25.68 62.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 73.14 110.933 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.0 t -51.97 -33.05 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.854 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -54.83 -26.05 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.839 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 mt -103.05 130.8 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.23 110.879 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.86 -49.96 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.52 111.089 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -58.43 -35.7 72.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 73.13 110.911 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -61.49 -45.69 93.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 73.43 110.941 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -58.16 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 72.22 110.807 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.65 -27.3 69.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.887 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -64.41 -50.3 68.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.896 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.79 -33.06 62.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.829 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.7 m -68.81 -52.24 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 62.12 110.885 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -65.87 -12.51 54.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.949 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.2 tp -78.77 -62.4 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.51 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.63 -52.27 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 62.12 110.854 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -10.1 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.941 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 48.45 31.53 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.901 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.76 -161.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 72.11 111.084 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 -36.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.834 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t -133.54 41.53 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 63.41 110.798 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.76 124.12 9.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 71.44 112.494 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -153.55 171.38 18.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 73.35 110.869 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -114.8 145.84 41.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 53.21 110.865 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -168.22 167.1 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 74.53 110.906 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -58.68 121.26 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.954 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -87.74 -176.26 5.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 75.23 110.784 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -58.74 -23.22 59.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.905 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.3 15.43 13.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.881 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 57.2 23.88 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.87 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -109.91 135.75 50.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 72.24 110.873 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 mt -77.89 114.95 17.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 75.41 110.97 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -139.6 165.01 28.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.4 110.917 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 t -92.86 111.26 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.973 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -108.31 145.71 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 60.53 111.169 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.0 m -112.45 144.93 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.881 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.93 112.49 18.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 65.2 110.92 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -116.03 112.75 22.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.928 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 87.6 m -102.89 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.869 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -119.9 112.44 19.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.911 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.935 -179.825 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.2 t70 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.821 0.344 . . . . 73.1 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -131.11 172.98 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.886 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? -124.86 150.68 46.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.908 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -146.07 154.62 42.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.842 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -159.32 139.43 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.881 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.6 p -104.68 130.93 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.14 111.114 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.54 89.19 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.968 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.59 -20.26 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 74.03 110.915 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -64.63 -15.41 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.823 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.92 158.35 70.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 71.3 111.002 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 128.31 15.88 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.765 2.31 . . . . 73.04 112.366 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -68.24 -25.41 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 74.43 111.098 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.0 m -57.62 -29.72 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.851 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -70.48 -27.63 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 74.44 110.898 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.05 -30.84 38.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 70.21 110.928 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -57.58 -23.9 53.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 mt -106.18 138.39 42.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.11 110.886 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.28 -39.7 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.51 111.066 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -72.06 -34.8 69.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.14 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -61.11 -46.1 91.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 72.51 110.937 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -59.97 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.11 110.88 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -61.22 -30.88 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.923 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.62 -49.49 77.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 72.22 110.956 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -78.68 -28.15 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 70.53 110.818 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.5 m -72.71 -32.63 65.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 74.43 110.866 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -87.3 -10.02 53.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.932 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.03 -61.78 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 75.42 110.911 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.29 -51.94 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 63.12 110.817 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -71.62 -11.85 61.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.55 110.943 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.8 m80 50.1 31.5 5.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 71.11 110.839 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.71 -162.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 71.12 111.19 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -134.15 -37.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 73.34 110.919 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -133.44 41.04 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.832 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.22 119.43 5.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.73 . . . . 62.22 112.432 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -149.89 164.49 35.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 73.1 110.899 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -103.49 151.56 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 74.41 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -164.52 172.85 12.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.916 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -69.31 140.89 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.94 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.78 169.95 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 72.44 110.867 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.15 -22.12 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.94 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -91.01 15.03 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.924 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 58.81 40.93 22.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.15 110.854 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -128.56 148.45 50.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.892 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 mt -90.82 124.14 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.925 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -143.48 162.05 36.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.891 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.8 t -94.41 110.71 22.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.839 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.62 143.49 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.123 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.4 m -117.88 129.9 55.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.16 120.92 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.22 110.9 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -113.56 120.35 40.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.5 110.908 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.0 t -129.39 137.84 51.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 74.3 110.916 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -123.45 101.77 7.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.941 -179.87 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.933 0.397 . . . . 64.14 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 m -117.8 172.85 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 71.22 110.805 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.24 122.47 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.1 110.877 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -125.19 162.1 25.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.906 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -163.63 152.73 14.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 72.4 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -102.99 139.88 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 72.3 111.166 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.76 125.91 42.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.942 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.12 -16.79 28.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 70.33 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -92.0 15.1 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 63.2 110.959 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -98.91 134.84 21.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.652 0.739 . . . . 75.32 110.961 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.13 14.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.62 2.214 . . . . 75.15 112.375 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.96 -29.46 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.112 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -65.15 -50.27 66.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 70.42 110.855 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -76.32 -8.77 57.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.853 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -30.5 71.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 72.03 110.864 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -56.39 -25.4 49.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 75.41 110.874 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.65 139.81 47.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 72.15 110.836 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.2 -29.89 16.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 74.43 111.133 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -90.12 -14.1 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 72.42 110.944 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -81.92 -42.23 19.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.911 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -63.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 53.4 110.872 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -52.2 -31.51 32.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 75.1 110.863 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -69.38 -50.16 48.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 73.3 110.902 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -68.17 -28.29 67.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 74.4 110.837 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 m -78.85 -52.73 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 71.01 110.874 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -68.39 -11.64 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 72.13 110.855 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 tt -79.34 -62.24 1.75 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 62.33 110.875 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.21 -51.52 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 70.14 110.865 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -70.78 -9.44 57.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 72.03 110.925 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 51.16 27.56 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 75.1 110.796 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.15 -163.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.45 111.141 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -134.32 -41.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 74.31 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 t -128.22 38.9 3.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 62.31 110.835 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.38 123.89 23.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 74.3 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -145.46 170.82 15.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 74.33 110.818 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.1 m -103.94 145.63 29.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 64.41 110.88 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -162.22 162.77 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 74.52 110.863 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -76.75 147.9 37.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 74.51 110.932 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -104.48 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 72.35 110.828 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -63.42 -20.47 65.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 61.22 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -94.69 23.01 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.851 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 51.79 30.25 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 73.31 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -110.05 136.34 49.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.13 125.15 34.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.935 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -142.86 175.51 9.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.9 t -105.02 110.66 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.889 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.57 134.74 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 75.35 111.193 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.1 m -106.44 142.67 35.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.903 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.54 117.64 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.789 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -117.0 113.18 21.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.912 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.67 143.63 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 75.05 110.863 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -125.46 110.48 13.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 75.52 110.925 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.884 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.78 0.324 . . . . 73.439999999999998 110.906 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -146.59 155.95 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.120000000000005 110.905 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -158.99 143.96 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 54.43 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.98 140.33 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 72.040000000000006 111.073 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -122.64 86.88 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.340000000000003 110.915 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.2 -20.87 57.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 74.209999999999994 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -57.01 -26.49 60.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.540000000000006 110.846 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -73.31 156.22 89.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.733 . . . . 60.409999999999997 110.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 130.52 19.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.269 . . . . 61.009999999999998 112.356 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.18 -30.06 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 71.329999999999998 111.159 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 p -56.06 -29.75 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.540000000000006 110.813 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.94 -24.01 60.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 70.109999999999999 110.854 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.9 t -51.69 -34.93 40.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 64.409999999999997 110.89 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.96 -31.0 66.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 75.230000000000004 110.898 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -83.84 133.04 34.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 64.400000000000006 110.892 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.64 -28.64 17.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 75.430000000000007 111.044 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -90.38 -13.7 34.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -82.52 -39.97 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.25 110.97 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -63.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 30.140000000000001 110.878 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -57.93 -27.8 63.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.329999999999998 110.923 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -67.41 -45.51 75.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 71.209999999999994 110.944 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.07 -27.88 48.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 73.150000000000006 110.855 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.9 m -76.34 -55.42 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.420000000000002 110.923 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -65.92 -11.63 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 65.430000000000007 110.951 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 29' ' ' ASP . 1.4 tt -79.11 -61.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 74.200000000000003 110.935 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.554 ' N ' HD23 ' A' ' 28' ' ' LEU . 3.5 m-20 -94.32 -52.05 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.856 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -10.02 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 71.400000000000006 110.915 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 51.94 25.95 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 71.510000000000005 110.895 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.11 -165.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 64.340000000000003 111.088 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -132.18 -40.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 73.319999999999993 110.887 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 t -126.51 39.73 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 61.009999999999998 110.884 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.69 116.71 3.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 42.340000000000003 112.487 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -150.47 162.81 39.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 71.310000000000002 110.817 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -103.42 152.05 22.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 64.319999999999993 110.887 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -158.7 152.69 23.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 75.420000000000002 110.85 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -58.62 136.5 57.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 75.439999999999998 110.957 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.55 -171.07 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.469 . . . . 62.32 110.93 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.12 -18.21 60.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 70.040000000000006 110.927 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -103.97 26.8 8.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 63.549999999999997 110.924 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? 57.52 23.4 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.439999999999998 110.91 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -102.03 128.48 48.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 61.549999999999997 110.931 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -89.32 116.18 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 55.439999999999998 110.88 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -131.61 158.39 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 65.409999999999997 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 t -92.9 109.59 21.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 44.119999999999997 110.863 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -97.59 136.72 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 111.132 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.7 m -111.48 129.13 56.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.019999999999996 110.906 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 9.5 t0 -114.87 120.73 40.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.845 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -108.05 118.7 37.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.409999999999997 110.898 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 65.340000000000003 110.871 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.775 0.321 . . . . 73.349999999999994 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -146.27 146.71 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 110.888 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -150.16 137.46 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 71.340000000000003 110.871 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.412 HG23 HG13 ' A' ' 48' ' ' ILE . 5.8 p -100.76 140.03 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 71.040000000000006 111.132 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.22 91.56 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 110.864 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.64 -21.87 64.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.310000000000002 110.913 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.2 -17.99 65.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 73.420000000000002 110.931 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -74.8 159.77 82.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 64.140000000000001 110.973 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 126.09 12.93 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.704 2.269 . . . . 54.25 112.354 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.07 -24.17 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 52.43 111.107 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -62.58 -30.32 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 110.849 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -68.54 -29.8 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.3 t -53.06 -30.11 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.530000000000001 110.859 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -58.15 -23.84 56.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 64.010000000000005 110.944 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -107.63 136.04 48.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.510000000000005 110.89 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.43 -29.09 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 42.329999999999998 111.116 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -81.12 -18.22 47.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 64.430000000000007 110.898 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -82.46 -40.47 21.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.409999999999997 110.862 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -61.69 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 72.430000000000007 110.89 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -30.17 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 75.420000000000002 110.865 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.98 -43.51 74.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.409999999999997 110.897 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -77.08 -27.82 54.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 74.209999999999994 110.883 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.3 m -78.77 -51.42 9.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.329999999999998 110.899 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -68.48 -12.39 61.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 55.549999999999997 110.904 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 tp -79.45 -62.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 65.450000000000003 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.79 -51.01 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 62.140000000000001 110.877 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -9.92 57.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 60.039999999999999 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 52.31 25.24 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 71.519999999999996 110.872 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.16 -165.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 111.12 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -132.57 -43.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 71.25 110.888 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -124.17 38.96 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.867 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.33 118.4 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 45.509999999999998 112.46 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -151.45 166.45 31.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 73.109999999999999 110.898 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.57 151.84 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.150000000000006 110.847 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -164.2 161.38 22.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 73.209999999999994 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -66.82 140.94 57.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 75.530000000000001 110.925 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.34 -176.41 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 71.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -64.31 -20.73 66.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 70.420000000000002 110.923 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -94.87 22.92 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.230000000000004 110.903 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 51.86 29.78 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.319999999999993 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -110.12 151.4 27.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 110.862 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 mt -101.29 120.8 40.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 44.43 110.883 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -139.14 161.58 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.430000000000007 110.882 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.48 110.43 22.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 110.896 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.412 HG13 HG23 ' A' ' 7' ' ' VAL . 4.2 mp -100.33 144.51 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 111.175 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.5 m -118.2 129.82 55.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 64.5 110.897 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.55 109.03 20.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.349999999999994 110.859 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -102.02 126.52 48.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 74.310000000000002 110.913 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 54.340000000000003 110.862 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.774 0.321 . . . . 73.109999999999999 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.2 144.28 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 51.350000000000001 110.889 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -158.31 152.14 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 73.219999999999999 110.94 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.92 140.13 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 71.099999999999994 111.098 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.66 90.97 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.0 110.833 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.09 -13.39 62.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 73.420000000000002 110.901 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -65.91 -19.3 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.010000000000005 110.89 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.99 154.95 52.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 75.549999999999997 110.934 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.09 36.92 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 74.120000000000005 112.354 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.67 -29.48 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 51.409999999999997 111.15 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -54.59 -28.77 48.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 74.129999999999995 110.838 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -29.96 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 65.319999999999993 110.901 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 t -52.83 -30.44 33.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 64.530000000000001 110.938 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -57.89 -23.52 53.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.834 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -107.8 135.13 49.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 73.150000000000006 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.94 -33.53 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 41.43 111.084 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -76.12 -20.54 57.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 75.140000000000001 110.934 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -79.46 -41.34 27.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 61.420000000000002 110.951 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -63.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 52.109999999999999 110.868 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.95 -28.52 57.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 73.209999999999994 110.877 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -67.96 -49.33 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 71.239999999999995 110.943 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -28.64 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 61.439999999999998 110.808 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.7 m -75.95 -55.38 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 61.210000000000001 110.879 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -66.54 -11.72 54.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 65.299999999999997 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -79.29 -61.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 74.109999999999999 110.95 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.17 -51.81 4.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 73.010000000000005 110.872 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -70.58 -9.84 57.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.209999999999994 110.927 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 51.87 26.36 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 71.319999999999993 110.864 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -60.65 -165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 62.020000000000003 111.092 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -131.61 -42.05 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 72.420000000000002 110.857 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -126.3 38.9 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.420000000000002 110.803 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.92 117.39 5.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 54.299999999999997 112.491 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -151.09 166.83 29.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 72.549999999999997 110.927 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -103.43 152.39 21.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 64.150000000000006 110.915 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -163.54 154.38 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 75.439999999999998 110.843 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -59.58 143.9 49.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 61.210000000000001 110.882 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -101.41 -174.19 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 73.530000000000001 110.932 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.28 -21.3 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.439999999999998 110.854 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -98.85 26.21 5.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 53.25 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 55.15 26.04 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 70.099999999999994 110.894 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -105.78 134.5 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 62.399999999999999 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -91.77 126.19 36.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 35.030000000000001 110.989 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -144.05 161.16 39.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.310000000000002 110.909 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.0 t -94.19 110.59 22.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 72.430000000000007 110.872 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.49 142.29 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 53.229999999999997 111.112 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.3 m -117.37 132.13 56.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.219999999999999 110.855 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 21.8 t0 -118.89 122.79 43.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 42.25 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -113.99 121.66 44.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 54.030000000000001 110.935 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 62.509999999999998 110.853 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.763 0.316 . . . . 63.450000000000003 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.49 144.59 29.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 110.909 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -149.99 147.53 27.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 65.400000000000006 110.817 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -95.73 138.88 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 111.128 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.91 73.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 110.883 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -68.6 -12.32 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 65.340000000000003 110.809 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -83.02 -19.72 36.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 73.030000000000001 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.79 156.86 61.16 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.683 0.754 . . . . 62.009999999999998 110.956 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 127.7 14.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.626 2.217 . . . . 71.439999999999998 112.326 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.41 -18.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 111.055 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -56.32 -29.38 61.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 73.439999999999998 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -75.53 -22.86 56.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 73.549999999999997 110.849 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 t -51.95 -33.49 37.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 74.329999999999998 110.903 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -55.27 -26.22 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.239999999999995 110.966 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 mt -104.17 136.48 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 63.149999999999999 110.932 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.0 -30.12 16.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 75.049999999999997 111.119 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -80.14 -20.91 43.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.400000000000006 110.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -79.31 -41.26 28.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.88 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -63.04 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 62.329999999999998 110.88 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.99 -27.98 55.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 70.329999999999998 110.922 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -68.26 -48.89 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 64.420000000000002 110.954 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.44 -28.09 61.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 71.319999999999993 110.829 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -76.89 -52.84 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 50.350000000000001 110.862 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -68.6 -12.5 61.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 71.430000000000007 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 tp -79.33 -62.26 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 71.340000000000003 110.963 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.76 -50.95 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 73.140000000000001 110.882 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -9.78 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 70.439999999999998 110.922 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 52.37 25.21 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 62.549999999999997 110.889 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.01 -165.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 71.5 111.107 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -132.98 -43.84 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 75.450000000000003 110.908 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 t -123.37 38.71 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 55.329999999999998 110.923 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.57 114.72 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 72.430000000000007 112.523 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -148.61 164.07 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 75.349999999999994 110.888 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 p -103.82 151.18 23.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 40.030000000000001 110.876 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -162.41 156.67 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 71.010000000000005 110.889 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -61.81 138.08 58.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.946 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.34 -178.76 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 54.439999999999998 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.72 -22.92 66.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 65.349999999999994 110.916 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -100.6 25.95 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.209999999999994 110.908 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 56.45 26.31 10.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 62.450000000000003 110.873 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -102.41 123.77 46.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 74.340000000000003 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.11 122.49 27.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.140000000000001 110.92 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -142.07 160.45 40.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 52.109999999999999 110.901 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.9 t -93.85 110.61 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 33.109999999999999 110.882 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -100.81 139.28 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.310000000000002 111.147 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 m -113.51 127.55 56.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 71.129999999999995 110.875 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 111.56 23.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 64.109999999999999 110.823 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -103.43 122.13 44.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.956 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 62.409999999999997 110.833 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.838 0.351 . . . . 71.420000000000002 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.59 162.08 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 71.099999999999994 110.821 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -164.6 150.91 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 62.240000000000002 110.895 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.42 140.1 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 64.040000000000006 111.139 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.45 91.86 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.924 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -62.67 -20.24 64.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 71.319999999999993 110.91 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.0 -21.48 59.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.826 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -72.84 159.93 84.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 52.350000000000001 110.924 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 120.79 7.52 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 71.219999999999999 112.317 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.12 -37.46 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 75.530000000000001 111.137 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.3 m -62.77 -50.05 72.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.010000000000005 110.861 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -73.11 -15.33 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 71.340000000000003 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -33.03 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 64.25 110.967 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -53.1 -27.07 18.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 72.239999999999995 110.825 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -79.9 129.87 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 74.200000000000003 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.23 -26.99 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 73.120000000000005 111.112 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -80.55 -22.18 41.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 72.120000000000005 110.798 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -82.26 -39.38 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 62.219999999999999 110.943 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -60.66 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 62.229999999999997 110.913 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -30.83 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.25 110.952 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.646 ' O ' HD23 ' A' ' 28' ' ' LEU . 51.0 t80 -66.32 -45.54 79.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 74.430000000000007 110.992 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -76.9 -33.27 57.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 74.140000000000001 110.836 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -68.3 -54.18 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 55.020000000000003 110.945 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -66.55 -11.38 52.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 64.129999999999995 110.903 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -78.89 -62.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 72.310000000000002 110.883 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -94.78 -51.93 4.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 64.420000000000002 110.897 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.83 -10.04 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 74.200000000000003 110.949 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 50.64 27.93 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.420000000000002 110.882 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -60.91 -165.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 73.340000000000003 111.097 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -37.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.219999999999999 110.869 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -130.51 38.78 3.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 74.409999999999997 110.919 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.17 122.83 19.36 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.76 -0.733 . . . . 73.409999999999997 112.435 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -146.31 168.45 21.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.369 . . . . 75.510000000000005 110.876 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.5 m -103.78 144.35 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.129999999999995 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -161.31 167.01 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 64.409999999999997 110.864 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -79.52 149.27 31.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 74.109999999999999 110.898 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -106.32 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 72.450000000000003 110.842 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.05 -20.98 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 74.140000000000001 110.914 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -94.83 22.69 6.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 60.409999999999997 110.914 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? 52.28 29.49 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.881 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -108.46 139.38 43.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.510000000000005 110.891 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -90.95 126.38 36.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.329999999999998 110.892 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -145.22 175.34 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 73.430000000000007 110.943 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 t -104.15 110.75 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 61.109999999999999 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -100.01 128.23 52.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 62.25 111.142 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 7.2 m -109.14 135.26 50.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 71.340000000000003 110.866 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.81 122.94 47.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 73.209999999999994 110.897 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -113.49 113.92 25.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 65.019999999999996 110.944 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 75.099999999999994 110.929 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.769 0.319 . . . . 64.510000000000005 110.955 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -127.71 159.28 35.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 73.140000000000001 110.898 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.12 146.18 10.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 63.240000000000002 110.868 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.512 HG23 HG13 ' A' ' 48' ' ' ILE . 9.1 p -96.33 133.98 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 61.329999999999998 111.152 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.7 90.31 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 110.892 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.31 -16.51 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 52.119999999999997 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -19.47 61.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 74.299999999999997 110.867 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -94.97 153.0 39.96 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.694 0.759 . . . . 73.140000000000001 110.96 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 146.84 61.04 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.275 . . . . 74.150000000000006 112.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 45' ' ' LEU . 39.3 t -68.39 -15.77 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 63.450000000000003 111.084 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -57.63 -34.74 69.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.299999999999997 110.866 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -59.83 -34.9 73.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 72.200000000000003 110.83 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.74 -26.48 45.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 74.439999999999998 110.908 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -63.47 -21.28 66.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 44.409999999999997 110.899 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 mt -116.26 136.23 53.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 71.349999999999994 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.91 -25.08 22.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 60.25 111.06 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -86.9 -21.82 26.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 74.120000000000005 110.822 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -80.1 -40.69 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 70.129999999999995 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -62.09 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 43.100000000000001 110.86 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -57.31 -32.31 66.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -62.73 -49.73 73.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.230000000000004 111.004 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -73.16 -30.28 63.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.513 . . . . 74.230000000000004 110.838 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 m -69.52 -42.27 74.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 60.25 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -78.73 -9.54 59.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 72.319999999999993 110.893 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.04 -61.87 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 73.209999999999994 110.911 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -94.33 -52.28 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 61.009999999999998 110.803 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -9.86 58.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 71.430000000000007 110.916 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 m80 51.07 27.93 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 61.409999999999997 110.816 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -60.7 -165.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 54.229999999999997 111.087 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -131.02 -39.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 71.430000000000007 110.837 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -133.48 39.58 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 63.340000000000003 110.87 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.63 128.61 24.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 33.439999999999998 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -150.19 171.78 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.926 0.393 . . . . 62.43 110.885 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 p -103.19 157.6 16.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 73.549999999999997 110.955 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -167.38 163.71 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 71.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -76.4 138.74 40.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 60.409999999999997 110.96 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -99.79 -176.19 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 71.239999999999995 110.864 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -63.02 -21.74 66.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 71.540000000000006 110.905 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -94.86 23.08 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 51.130000000000003 110.901 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 51.61 30.17 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.150000000000006 110.917 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -109.14 146.66 33.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 70.25 110.809 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.535 ' O ' HG13 ' A' ' 13' ' ' VAL . 16.6 mt -99.99 119.87 38.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 52.200000000000003 110.892 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -133.68 167.56 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 72.519999999999996 110.945 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.6 t -94.46 110.45 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 75.209999999999994 110.87 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.512 HG13 HG23 ' A' ' 7' ' ' VAL . 3.9 mp -102.84 145.51 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 75.200000000000003 111.147 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 10.9 m -118.21 137.04 53.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 65.030000000000001 110.903 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.435 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.2 m-20 -119.8 125.22 48.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 65.420000000000002 110.845 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -116.42 112.81 21.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.530000000000001 110.916 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 62.140000000000001 110.879 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.799 0.333 . . . . 75.25 110.869 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -146.16 158.14 43.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 110.878 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -158.28 142.72 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.349999999999994 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.503 HG23 HG13 ' A' ' 48' ' ' ILE . 7.5 p -104.61 139.59 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.329999999999998 111.134 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.2 94.93 5.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.972 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.52 -33.22 75.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 75.409999999999997 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.11 -24.85 63.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.909 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -71.57 136.43 83.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.683 0.754 . . . . 63.439999999999998 110.936 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 134.69 28.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 55.219999999999999 112.371 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 45' ' ' LEU . 21.3 t -67.95 -15.86 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 55.350000000000001 111.149 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.6 m -57.72 -29.91 65.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 62.100000000000001 110.821 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -80.2 -22.65 41.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.150000000000006 110.853 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -53.28 -31.75 45.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 110.879 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -57.47 -23.28 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 75.409999999999997 110.95 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.5 mt -107.51 135.07 49.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.540000000000006 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.2 -31.31 16.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 34.340000000000003 111.067 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -79.01 -17.37 55.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 75.439999999999998 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -82.21 -41.25 20.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 55.119999999999997 110.895 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -61.47 -61.73 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 71.239999999999995 110.891 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -29.88 63.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.939 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.45 -45.74 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.299999999999997 110.907 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -28.15 57.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 73.450000000000003 110.889 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m -76.79 -51.2 11.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.340000000000003 110.918 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -68.8 -12.21 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.010000000000005 110.938 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -79.17 -62.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.219999999999999 110.894 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -94.12 -50.98 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 64.030000000000001 110.844 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -10.47 59.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.430000000000007 110.845 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 51.48 26.19 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 63.130000000000003 110.901 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.39 -164.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.329999999999998 111.065 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -133.4 -40.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 63.130000000000003 110.857 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 m -126.21 38.59 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 65.120000000000005 110.879 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.37 118.84 7.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.77 -0.728 . . . . 45.409999999999997 112.483 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -150.86 167.79 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 72.310000000000002 110.857 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 p -103.72 152.47 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.400000000000006 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.07 159.99 11.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.420000000000002 110.843 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -65.17 140.56 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 75.120000000000005 110.876 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -102.94 -177.45 3.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 74.430000000000007 110.915 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -62.63 -20.96 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 73.430000000000007 110.908 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -94.9 22.94 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.230000000000004 110.904 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? 51.6 30.51 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.898 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -111.12 149.16 31.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.859 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' O ' HG22 ' A' ' 13' ' ' VAL . 13.5 mt -100.88 122.5 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.219999999999999 110.925 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -143.16 165.91 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 74.430000000000007 110.946 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.35 110.79 22.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 62.210000000000001 110.937 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.503 HG13 HG23 ' A' ' 7' ' ' VAL . 4.1 mp -101.55 137.68 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 53.340000000000003 111.043 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 m -112.15 131.74 55.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 75.340000000000003 110.949 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 14.9 t0 -120.33 121.99 39.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.030000000000001 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -113.71 113.21 24.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 70.430000000000007 110.951 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 40.130000000000003 110.878 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.735 0.303 . . . . 73.219999999999999 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.3 148.91 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 74.439999999999998 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -156.23 145.72 20.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 110.885 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -98.23 140.46 18.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.120000000000005 111.159 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -112.39 84.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 64.109999999999999 110.958 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -63.61 -16.81 61.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 54.130000000000003 110.89 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -28.34 69.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.310000000000002 110.845 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.84 148.67 72.82 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 74.109999999999999 110.918 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 141.51 45.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.622 2.214 . . . . 61.409999999999997 112.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.7 t -68.36 -18.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 111.074 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -64.66 -30.53 71.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.219999999999999 110.842 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.05 -26.92 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 55.229999999999997 110.869 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.72 -31.6 38.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 70.310000000000002 110.919 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -56.38 -25.25 49.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 65.299999999999997 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.1 mt -103.68 136.64 43.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 72.310000000000002 110.975 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.55 -39.61 12.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.420000000000002 111.074 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -71.9 -19.68 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 32.030000000000001 110.893 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -43.4 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 33.32 110.89 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -62.64 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 110.931 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -54.13 -30.65 49.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 110.904 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -66.88 -50.2 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 75.450000000000003 110.96 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.56 -29.77 65.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.506 . . . . 74.239999999999995 110.89 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.1 m -74.34 -53.75 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 55.420000000000002 110.849 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -66.7 -11.62 55.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 110.93 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 29' ' ' ASP . 2.2 tm? -79.14 -62.1 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 71.310000000000002 110.949 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' HD13 ' A' ' 28' ' ' LEU . 28.1 t0 -94.39 -52.15 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.851 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -10.05 58.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 64.439999999999998 110.921 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 50.56 27.61 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 73.439999999999998 110.894 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.11 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.010000000000005 111.12 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -132.25 -39.76 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 75.310000000000002 110.867 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.5 t -128.89 38.82 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.040000000000006 110.852 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.73 120.07 8.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 63.140000000000001 112.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -149.45 168.4 23.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 50.409999999999997 110.86 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.4 p -103.41 154.17 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 54.229999999999997 110.889 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -165.05 159.9 18.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 64.430000000000007 110.892 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -70.45 132.91 46.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 71.049999999999997 110.959 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -89.6 -176.35 4.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 70.439999999999998 110.925 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.98 -22.61 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 63.130000000000003 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -99.41 25.75 6.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 72.349999999999994 110.82 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 54.35 27.29 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 54.25 110.879 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -101.83 124.2 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 60.299999999999997 110.897 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.521 ' H ' HD12 ' A' ' 45' ' ' LEU . 1.1 mp -85.23 114.8 22.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 72.299999999999997 110.964 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -134.16 166.34 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.230000000000004 110.883 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.7 t -94.48 110.44 22.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.040000000000006 110.874 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 142.71 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 111.102 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.1 m -116.64 133.91 55.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 54.240000000000002 110.874 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 46.1 t0 -118.17 124.77 48.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 73.310000000000002 110.886 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -122.44 113.16 18.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 73.109999999999999 110.904 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 60.399999999999999 110.849 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.819 0.342 . . . . 75.450000000000003 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -123.03 147.92 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 73.430000000000007 110.829 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -154.93 141.52 18.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 65.129999999999995 110.91 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.564 HG21 ' OE1' ' A' ' 46' ' ' GLN . 6.2 p -104.09 140.1 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 72.450000000000003 111.103 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.04 91.72 3.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 73.219999999999999 110.927 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.11 -19.56 65.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.021 -0.536 . . . . 64.25 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.64 -19.6 58.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 71.450000000000003 110.888 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -76.52 156.11 83.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.695 0.76 . . . . 75.239999999999995 110.914 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 127.98 15.29 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 64.25 112.322 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.5 t -68.28 -20.51 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 52.450000000000003 111.066 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m -69.54 -29.62 67.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 53.119999999999997 110.921 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.68 -23.71 59.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 72.010000000000005 110.9 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.8 t -51.38 -35.12 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 64.340000000000003 110.914 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.17 -31.58 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 73.409999999999997 110.894 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -81.01 135.16 35.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 74.019999999999996 110.918 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.68 -29.21 16.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 111.151 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -90.18 -15.99 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.120000000000005 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -80.33 -42.85 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 71.030000000000001 110.964 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.510000000000005 110.923 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -54.98 -29.55 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 52.350000000000001 110.858 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -68.7 -50.0 54.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 75.540000000000006 110.886 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.9 -28.13 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 75.120000000000005 110.901 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.7 m -78.53 -52.6 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 61.409999999999997 110.837 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -68.53 -12.2 60.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 51.43 110.948 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 29' ' ' ASP . 4.2 tt -79.18 -62.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 62.329999999999998 110.866 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.561 ' N ' HD23 ' A' ' 28' ' ' LEU . 5.4 m-20 -93.91 -50.96 5.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 71.230000000000004 110.843 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -10.23 58.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 72.329999999999998 110.92 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 t60 52.25 24.9 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 73.019999999999996 110.928 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.65 -163.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.010000000000005 111.072 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -134.43 -40.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 55.340000000000003 110.891 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.2 m -124.38 39.28 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 64.109999999999999 110.892 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.58 122.13 10.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 55.509999999999998 112.529 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -152.69 165.01 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 74.450000000000003 110.898 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.57 153.12 20.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 52.210000000000001 110.882 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -165.88 161.78 17.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.879 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.701 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 23.0 m-85 -60.79 136.02 57.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 73.25 110.894 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -101.21 -175.98 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 73.450000000000003 110.901 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -64.58 -20.58 66.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 45.539999999999999 110.897 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -93.91 19.12 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 72.439999999999998 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? 55.98 25.18 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.430000000000007 110.872 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -108.97 159.29 16.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 74.239999999999995 110.847 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.701 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 7.5 mt -101.56 117.03 34.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 74.549999999999997 110.958 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.564 ' OE1' HG21 ' A' ' 7' ' ' VAL . 63.0 mt-30 -132.81 159.93 38.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 62.229999999999997 110.864 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.9 t -93.22 109.84 21.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 63.439999999999998 110.875 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.404 HG13 HG23 ' A' ' 7' ' ' VAL . 4.3 mp -99.01 146.41 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 72.430000000000007 111.137 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.3 m -118.72 131.11 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 51.350000000000001 110.945 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.56 116.89 29.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 64.140000000000001 110.858 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -113.39 113.11 24.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 70.140000000000001 110.898 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 35.299999999999997 110.895 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 tttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.819 0.342 . . . . 73.510000000000005 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.66 162.13 22.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.836 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -164.98 148.84 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 110.968 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.448 HG21 ' OE1' ' A' ' 46' ' ' GLN . 7.5 p -104.34 136.29 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 63.420000000000002 111.137 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.72 88.07 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 63.109999999999999 110.948 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.73 -19.38 64.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 60.020000000000003 110.872 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.22 -19.28 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.120000000000005 110.851 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -81.77 154.47 70.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.631 0.729 . . . . 72.109999999999999 110.907 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 125.69 12.45 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.749 2.3 . . . . 73.230000000000004 112.335 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.32 -15.95 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 72.099999999999994 111.113 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 m -61.97 -29.47 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.873 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -78.37 -18.82 54.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 53.140000000000001 110.895 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.2 t -51.09 -36.96 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 71.439999999999998 110.891 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -57.6 -32.59 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.329999999999998 110.863 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -81.61 134.38 35.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 110.922 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.09 -29.21 16.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 31.239999999999998 111.096 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -90.11 -17.52 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 75.349999999999994 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -77.35 -44.21 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.030000000000001 110.885 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -63.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 52.409999999999997 110.883 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -54.22 -28.22 39.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 55.119999999999997 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -69.03 -49.52 56.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.439999999999998 110.913 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -69.24 -30.81 69.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 74.219999999999999 110.835 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.6 m -76.52 -53.56 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 75.329999999999998 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -67.18 -11.38 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 110.892 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 29' ' ' ASP . 1.6 tt -78.99 -62.29 1.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 60.340000000000003 110.927 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.569 ' N ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -94.51 -51.89 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.540000000000006 110.916 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -70.92 -10.08 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 71.310000000000002 110.897 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.0 m80 50.51 28.62 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 74.349999999999994 110.847 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.82 -165.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 71.319999999999993 111.097 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -131.94 -40.37 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.109999999999999 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -125.63 38.83 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.340000000000003 110.858 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.44 116.39 4.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.668 -0.777 . . . . 62.030000000000001 112.504 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -152.16 165.8 33.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 70.319999999999993 110.942 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.5 p -103.67 152.71 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 61.399999999999999 110.888 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -165.56 155.0 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 64.549999999999997 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -58.88 144.07 45.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 71.340000000000003 110.967 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.95 -175.96 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 62.299999999999997 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.23 -19.95 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.329999999999998 110.885 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -94.6 22.31 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 70.349999999999994 110.915 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 52.65 28.91 6.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.129999999999995 110.843 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -112.02 152.95 27.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.349999999999994 110.96 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.11 126.64 46.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.93 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' OE1' HG21 ' A' ' 7' ' ' VAL . 47.7 mt-30 -144.58 157.84 44.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 72.409999999999997 110.896 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.0 t -93.15 110.53 22.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 64.109999999999999 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.406 HG13 HG23 ' A' ' 7' ' ' VAL . 3.9 mp -101.59 146.99 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 111.103 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.4 m -118.59 143.96 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 71.450000000000003 110.876 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -122.35 116.12 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 70.329999999999998 110.849 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -109.83 112.93 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.957 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 74.329999999999998 110.875 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.726 0.298 . . . . 65.140000000000001 110.917 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -126.92 161.77 27.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 73.329999999999998 110.921 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -165.69 140.06 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 71.129999999999995 110.88 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.475 HG21 HE21 ' A' ' 46' ' ' GLN . 6.7 p -93.9 140.05 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 63.200000000000003 111.168 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -112.09 86.13 2.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 63.200000000000003 110.927 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.56 -16.64 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 74.150000000000006 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -64.46 -25.31 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.299999999999997 110.914 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.64 147.45 71.3 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.698 0.761 . . . . 73.329999999999998 110.925 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.57 42.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.622 2.215 . . . . 75.209999999999994 112.369 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -68.78 -15.91 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.140000000000001 111.12 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 m -69.06 -29.83 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 74.310000000000002 110.837 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -23.15 57.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 61.439999999999998 110.882 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.2 t -51.49 -34.31 35.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 51.530000000000001 110.811 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -58.93 -34.78 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.099999999999994 110.975 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.51 133.54 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 64.209999999999994 110.931 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.88 -30.46 16.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 74.219999999999999 111.168 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -88.26 -14.66 37.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.862 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -81.14 -43.03 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 61.439999999999998 110.912 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.44 -63.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 61.43 110.905 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -28.23 40.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 70.540000000000006 110.858 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -69.83 -49.08 56.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.931 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.11 -28.52 65.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 72.540000000000006 110.813 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.9 m -79.13 -51.2 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.120000000000005 110.892 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -12.06 61.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 71.310000000000002 110.883 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 29' ' ' ASP . 3.3 tt -78.81 -62.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 73.409999999999997 110.883 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.571 ' N ' HD23 ' A' ' 28' ' ' LEU . 4.7 m-20 -94.39 -50.85 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 50.509999999999998 110.873 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -10.53 59.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 65.099999999999994 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 50.71 27.4 2.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 71.099999999999994 110.862 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.29 -164.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 53.399999999999999 111.148 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -134.2 -40.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.299999999999997 110.792 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -125.29 39.54 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.898 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.34 126.21 18.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.67 -0.776 . . . . 53.420000000000002 112.487 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -158.07 166.21 33.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 53.509999999999998 110.882 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.1 p -103.74 153.47 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 71.329999999999998 110.826 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -167.16 157.68 11.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 110.87 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -66.37 135.05 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 74.200000000000003 111.01 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -96.39 -176.17 3.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 74.400000000000006 110.843 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.58 -23.1 64.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 75.340000000000003 110.848 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -94.73 22.33 6.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 110.926 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 52.07 29.44 6.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 75.150000000000006 110.832 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -105.95 135.69 46.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.109999999999999 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -89.68 114.66 26.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 61.240000000000002 110.933 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.475 HE21 HG21 ' A' ' 7' ' ' VAL . 6.9 mt-30 -137.25 162.8 32.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 74.140000000000001 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -93.78 110.51 22.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.219999999999999 110.896 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.24 143.93 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.519999999999996 111.111 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 9.1 m -109.3 142.93 39.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 65.349999999999994 110.933 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 18.1 m-20 -123.89 115.7 21.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 74.409999999999997 110.795 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -118.96 113.27 20.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.129999999999995 110.937 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 75.530000000000001 110.813 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.702 0.287 . . . . 70.019999999999996 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -146.05 159.68 42.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 75.140000000000001 110.82 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -163.83 139.21 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.951 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -99.87 139.92 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 53.450000000000003 111.182 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.13 93.97 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 63.310000000000002 110.894 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.65 -31.15 66.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 44.149999999999999 110.855 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -61.41 -25.35 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 73.099999999999994 110.887 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.04 137.64 97.18 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.674 0.75 . . . . 62.140000000000001 110.957 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 135.59 30.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.23 . . . . 74.519999999999996 112.396 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.13 -19.37 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 73.530000000000001 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.6 m -68.66 -34.38 75.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 44.43 110.836 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.1 -26.04 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 64.299999999999997 110.887 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.8 t -52.25 -32.11 35.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 64.5 110.888 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -56.03 -26.4 48.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.209999999999994 110.896 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -103.18 129.75 50.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 110.854 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.24 -49.97 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 32.200000000000003 111.126 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -58.09 -41.13 82.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 64.5 110.923 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -56.27 -47.14 79.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 72.109999999999999 110.835 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -63.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 53.509999999999998 110.841 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -29.44 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.400000000000006 110.877 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.18 -48.91 74.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 74.450000000000003 110.934 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.85 -27.59 49.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 74.310000000000002 110.87 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -74.25 -37.48 63.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 74.010000000000005 110.867 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.88 -10.99 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.230000000000004 110.847 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 29' ' ' ASP . 8.6 tt -79.99 -61.98 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 62.409999999999997 110.914 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' N ' HD23 ' A' ' 28' ' ' LEU . 5.4 m-20 -94.02 -51.89 4.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 72.099999999999994 110.887 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -11.16 60.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 62.299999999999997 110.929 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.5 t60 51.26 28.27 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 110.844 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.07 -165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 70.129999999999995 111.083 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -133.12 -39.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.340000000000003 110.862 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -129.04 39.49 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.84 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.78 124.52 12.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.733 -0.746 . . . . 34.310000000000002 112.406 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -155.23 166.22 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.957 0.408 . . . . 64.329999999999998 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.2 p -107.61 145.65 33.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 73.129999999999995 110.856 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.719 ' CE1' HD13 ' A' ' 48' ' ' ILE . 33.4 p90 -167.04 162.75 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 63.409999999999997 110.903 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -58.76 138.08 57.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 110.892 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.14 -169.83 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 75.209999999999994 110.91 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.68 -20.72 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.884 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -93.83 19.42 8.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 55.420000000000002 110.927 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? 56.26 24.86 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 63.109999999999999 110.887 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.95 145.02 37.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.010000000000005 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.52 125.21 37.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.340000000000003 110.924 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -148.17 166.17 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.129999999999995 110.866 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.2 t -94.28 110.67 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 63.439999999999998 110.791 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.719 HD13 ' CE1' ' A' ' 38' ' ' PHE . 4.3 mp -103.77 140.87 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 65.530000000000001 111.132 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.2 m -111.41 135.26 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 54.140000000000001 110.902 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 8.5 m-20 -120.32 119.74 34.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.310000000000002 110.846 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -111.61 122.85 48.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.230000000000004 110.903 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 63.329999999999998 110.885 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.733 0.301 . . . . 75.120000000000005 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.86 146.67 30.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.239999999999995 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -153.2 138.37 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 72.329999999999998 110.918 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 p -96.2 140.12 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 74.040000000000006 111.132 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.34 85.01 2.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 72.150000000000006 110.944 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.1 -20.52 58.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 75.319999999999993 110.937 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -57.91 -22.83 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.209999999999994 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.0 155.03 88.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.654 0.74 . . . . 71.400000000000006 110.915 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 121.68 8.38 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.645 2.23 . . . . 71.129999999999995 112.325 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.01 -15.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.109999999999999 111.143 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -69.68 -29.25 66.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 62.409999999999997 110.876 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -83.85 -12.15 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 53.350000000000001 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.4 t -51.8 -38.61 56.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 54.140000000000001 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -33.23 64.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 50.350000000000001 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.79 132.27 41.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.549999999999997 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -27.63 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 54.310000000000002 111.072 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -90.4 -15.42 31.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 72.230000000000004 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -82.22 -42.3 19.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 65.5 110.93 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -63.21 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 54.210000000000001 110.895 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -28.87 58.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.874 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -69.39 -42.06 75.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 110.949 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -77.99 -28.51 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.837 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.6 m -78.75 -51.51 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 72.150000000000006 110.886 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -68.7 -12.17 61.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 74.120000000000005 110.871 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -79.09 -62.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 65.140000000000001 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.09 -50.99 5.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 44.399999999999999 110.884 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -10.09 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 65.340000000000003 110.955 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.1 m80 51.21 26.59 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 70.450000000000003 110.832 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.46 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 111.117 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.96 -38.73 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 110.858 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 m -127.43 39.91 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 64.439999999999998 110.816 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.41 122.88 7.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 73.439999999999998 112.508 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -156.92 162.62 39.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.941 0.4 . . . . 33.210000000000001 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 p -103.35 151.12 23.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 42.329999999999998 110.827 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -161.24 154.1 20.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 70.349999999999994 110.902 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -58.95 134.01 56.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 72.049999999999997 110.999 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.42 -177.86 4.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.15 -0.477 . . . . 60.450000000000003 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.17 -19.15 64.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -101.19 24.68 9.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 74.430000000000007 110.917 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 57.41 23.49 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.200000000000003 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -103.19 127.45 50.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 71.329999999999998 110.921 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 mt -87.84 116.73 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 64.450000000000003 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -135.79 162.16 33.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 110.898 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.23 110.54 22.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 55.299999999999997 110.873 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -97.24 145.72 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 71.420000000000002 111.138 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 9.0 m -118.56 131.07 56.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.540000000000006 110.867 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.47 117.08 30.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 74.540000000000006 110.855 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -107.08 122.48 46.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 61.409999999999997 110.843 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 52.119999999999997 110.881 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.778 0.323 . . . . 64.329999999999998 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.43 155.93 47.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.510000000000005 110.92 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -162.21 141.64 9.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 73.209999999999994 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -90.51 139.13 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 111.069 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -113.37 85.37 2.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 71.209999999999994 110.938 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -60.84 -20.02 60.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 75.019999999999996 110.882 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.27 -29.7 66.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 110.887 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.19 142.34 75.35 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.7 0.762 . . . . 72.450000000000003 110.946 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 141.93 46.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.745 2.297 . . . . 75.549999999999997 112.3 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.24 -15.72 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 75.049999999999997 111.152 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -70.04 -33.43 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 65.340000000000003 110.845 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.81 -20.28 59.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 65.329999999999998 110.902 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 t -51.53 -35.3 40.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 64.140000000000001 110.89 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -57.79 -33.29 68.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 62.140000000000001 110.947 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.24 133.13 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 51.130000000000003 110.936 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.16 -29.36 16.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 51.520000000000003 111.077 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -89.21 -17.61 28.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 110.838 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -77.43 -44.02 30.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 60.409999999999997 110.865 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -63.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.239999999999995 110.94 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -53.65 -29.52 38.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.219999999999999 110.858 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.71 -50.08 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 72.540000000000006 110.918 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.29 -36.01 80.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 64.439999999999998 110.873 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.2 m -71.7 -53.78 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.040000000000006 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -67.03 -10.97 55.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 72.430000000000007 110.953 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 29' ' ' ASP . 1.1 tt -78.93 -62.32 1.74 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 75.230000000000004 110.894 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' HB2' HD23 ' A' ' 28' ' ' LEU . 18.5 t0 -94.76 -52.07 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -9.95 58.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 53.119999999999997 110.905 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 50.08 28.97 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 75.420000000000002 110.864 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -60.82 -165.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 61.030000000000001 111.125 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.62 -39.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 73.319999999999993 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -125.38 39.15 4.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.349999999999994 110.854 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.73 118.56 6.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 63.049999999999997 112.543 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -153.41 167.71 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 65.420000000000002 110.923 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.8 p -103.42 152.43 21.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 65.200000000000003 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.84 156.48 22.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.299999999999997 110.917 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -62.08 137.36 58.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 75.439999999999998 110.923 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.67 -177.82 4.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 74.010000000000005 110.893 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.59 -20.15 65.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.443 . . . . 74.510000000000005 110.871 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -100.9 25.18 8.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 72.519999999999996 110.913 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 56.95 24.12 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 71.219999999999999 110.822 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -102.6 128.6 49.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.129999999999995 110.825 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.39 116.41 27.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 64.430000000000007 110.939 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -135.28 164.37 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 63.119999999999997 110.915 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.0 t -94.14 110.43 22.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.030000000000001 110.84 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.54 144.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 71.530000000000001 111.104 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.2 m -110.98 147.76 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.439999999999998 110.874 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 17.7 t70 -130.88 121.78 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.140000000000001 110.884 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -122.53 114.91 21.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.152 -0.476 . . . . 75.450000000000003 110.937 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 73.109999999999999 110.93 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.3 tttm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.734 0.302 . . . . 74.530000000000001 110.948 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -123.07 162.06 23.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -167.5 146.38 4.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 73.25 110.922 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -109.56 139.81 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 71.329999999999998 111.133 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.85 125.6 42.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 75.010000000000005 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.54 -16.4 39.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 74.239999999999995 110.855 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -92.17 15.12 14.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 51.509999999999998 110.902 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -94.76 135.03 24.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.704 0.764 . . . . 73.030000000000001 110.898 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 122.33 8.99 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.653 2.236 . . . . 74.230000000000004 112.347 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.52 -26.03 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 75.430000000000007 111.115 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 m -65.76 -47.99 73.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 62.340000000000003 110.871 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -76.08 -18.97 58.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.129999999999995 110.863 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -31.82 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 72.120000000000005 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -53.92 -27.61 31.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 63.439999999999998 110.89 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.0 mt -82.43 125.94 31.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.908 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.2 -51.67 16.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 73.409999999999997 111.081 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -62.71 -17.14 60.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 65.129999999999995 110.829 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -79.94 -42.98 22.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 73.329999999999998 110.887 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -63.04 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.109999999999999 110.856 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -52.06 -30.52 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 62.420000000000002 110.834 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -69.81 -49.6 51.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 64.25 110.927 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.88 -27.98 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 75.310000000000002 110.877 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -79.02 -51.79 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.120000000000005 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -69.68 -10.71 59.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 72.420000000000002 110.89 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -79.35 -62.33 1.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 75.439999999999998 110.899 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -94.48 -51.78 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 74.340000000000003 110.923 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -71.24 -9.98 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 64.150000000000006 110.854 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 50.13 29.11 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 74.030000000000001 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.0 -164.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 75.400000000000006 111.139 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -133.1 -39.93 0.93 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 75.519999999999996 110.826 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 t -126.83 38.69 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 55.119999999999997 110.858 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.67 123.56 23.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 74.409999999999997 112.521 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -148.05 169.49 19.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 75.430000000000007 110.89 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.7 m -103.7 145.76 29.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.879 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.95 174.44 7.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 72.040000000000006 110.917 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.575 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 70.8 m-85 -71.62 142.98 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 71.109999999999999 110.951 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.06 -176.35 3.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.1 -23.93 62.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 73.120000000000005 110.837 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -94.89 22.05 6.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.450000000000003 110.927 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 51.55 30.78 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 72.530000000000001 110.818 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.73 146.56 36.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 74.519999999999996 110.934 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 3.1 mt -86.68 114.64 23.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.530000000000001 110.91 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -136.86 175.16 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 71.340000000000003 110.915 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 t -101.98 110.63 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 65.129999999999995 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.69 128.84 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.010000000000005 111.158 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.0 m -103.32 131.88 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 52.229999999999997 110.85 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.439 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 47.7 t0 -114.8 124.17 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 65.430000000000007 110.85 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -125.5 112.91 16.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 75.209999999999994 110.954 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 55.409999999999997 110.871 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.799 0.333 . . . . 71.319999999999993 110.918 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.05 146.47 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 110.872 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -156.93 143.53 18.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.400000000000006 110.897 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 48' ' ' ILE . 7.6 p -101.49 140.05 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 111.148 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -122.8 89.68 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 60.229999999999997 110.895 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.79 -21.67 56.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 70.239999999999995 110.899 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.08 -24.32 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 63.530000000000001 110.897 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -72.17 153.7 92.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.645 0.736 . . . . 64.040000000000006 110.964 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.3 6.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.594 2.196 . . . . 53.439999999999998 112.393 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -68.13 -15.91 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 75.230000000000004 111.118 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -29.58 66.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 64.109999999999999 110.953 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -83.88 -11.46 56.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 75.049999999999997 110.935 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.7 t -50.68 -39.94 52.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.854 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.79 -35.05 63.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 74.349999999999994 110.891 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.34 134.46 44.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 72.420000000000002 110.899 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -28.94 16.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 75.319999999999993 111.05 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -90.31 -15.51 31.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 65.319999999999993 110.887 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -80.49 -43.44 20.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 52.130000000000003 110.878 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -63.14 1.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 74.239999999999995 110.898 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -52.35 -30.73 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.904 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -68.88 -50.33 50.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 65.430000000000007 110.949 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.65 -29.3 69.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.230000000000004 110.843 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.3 m -78.4 -54.07 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 74.450000000000003 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -67.19 -10.99 56.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.875 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 tp -79.29 -62.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 73.219999999999999 110.872 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -94.45 -52.01 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.209999999999994 110.873 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -70.96 -9.21 57.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 65.019999999999996 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 50.77 28.36 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 74.340000000000003 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.442 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -60.62 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 75.230000000000004 111.13 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -132.32 -40.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 61.009999999999998 110.858 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t -127.85 39.64 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 34.350000000000001 110.853 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.15 118.95 5.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.655 -0.783 . . . . 74.150000000000006 112.543 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -152.47 163.81 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 63.100000000000001 110.931 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.6 p -103.41 153.02 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 74.040000000000006 110.883 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -166.55 156.66 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.340000000000003 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -58.95 141.85 52.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 70.349999999999994 110.91 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.0 -176.74 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 73.230000000000004 110.886 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.85 -20.04 66.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 35.43 110.84 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -94.21 20.95 7.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.129999999999995 110.88 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 53.74 27.47 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 65.209999999999994 110.9 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -110.05 155.53 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 64.349999999999994 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.15 121.51 42.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 70.400000000000006 110.934 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -140.36 159.67 41.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 65.25 110.927 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.8 t -93.34 110.58 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 71.510000000000005 110.876 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.414 HG13 HG23 ' A' ' 7' ' ' VAL . 4.0 mp -101.31 146.87 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 61.329999999999998 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.5 m -118.63 152.46 36.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.861 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.98 128.75 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 74.120000000000005 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -121.27 121.1 36.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.329999999999998 110.936 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.2 m . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 70.319999999999993 110.854 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 mttt . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.87 0.367 . . . . 72.310000000000002 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -146.58 138.71 24.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 73.549999999999997 110.846 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -154.61 146.71 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 110.938 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -105.22 136.89 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 52.200000000000003 111.087 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -99.55 87.99 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 63.5 110.866 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.35 -32.42 62.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.843 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.54 -25.61 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 54.210000000000001 110.859 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.32 137.73 89.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.671 0.748 . . . . 74.510000000000005 110.917 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 138.43 37.96 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.71 2.274 . . . . 64.299999999999997 112.338 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.21 -15.85 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 111.118 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 m -69.19 -36.42 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 63.420000000000002 110.799 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -66.97 -26.7 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 110.867 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.5 t -52.38 -31.39 33.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 110.902 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.65 -27.25 58.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 65.040000000000006 110.85 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.9 135.36 43.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 73.010000000000005 110.89 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.04 -31.6 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 52.420000000000002 111.128 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -78.46 -20.42 50.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.150000000000006 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.14 -42.05 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 65.129999999999995 110.9 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -62.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.129999999999995 110.944 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -54.81 -30.72 57.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 53.43 110.907 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -66.68 -50.38 63.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 75.209999999999994 110.93 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -30.9 69.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 65.319999999999993 110.834 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.1 m -73.95 -53.14 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.915 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -67.33 -11.48 57.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 53.140000000000001 110.919 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 29' ' ' ASP . 2.1 tm? -79.19 -62.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 54.43 110.904 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' N ' HD13 ' A' ' 28' ' ' LEU . 5.9 m-20 -94.47 -51.91 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 110.9 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -70.85 -9.37 57.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 63.25 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 m80 50.98 28.24 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 74.140000000000001 110.912 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.34 -166.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 75.019999999999996 111.127 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.56 -40.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 62.210000000000001 110.868 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -131.51 39.2 3.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 54.350000000000001 110.847 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.22 121.82 10.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.756 . . . . 71.129999999999995 112.485 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -152.74 167.17 29.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.86 0.362 . . . . 71.219999999999999 110.909 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.4 p -103.83 150.1 24.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 70.5 110.933 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -162.7 164.39 26.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.866 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -65.44 139.01 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.400000000000006 110.918 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.59 -175.24 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 70.340000000000003 110.886 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.04 -22.73 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 75.439999999999998 110.879 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -102.23 26.92 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.119999999999997 110.866 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 56.47 26.85 11.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.129999999999995 110.848 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -102.19 126.34 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 43.140000000000001 110.872 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.53 121.31 27.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.140000000000001 110.893 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -142.68 163.63 32.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 52.310000000000002 110.886 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.1 t -94.6 111.11 22.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -105.09 147.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 65.430000000000007 111.086 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.8 m -117.63 137.05 52.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 62.240000000000002 110.823 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -113.2 120.94 42.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.906 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -112.32 120.66 42.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 75.319999999999993 110.937 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.95 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 tptm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.77 0.319 . . . . 74.120000000000005 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -121.59 155.23 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 64.140000000000001 110.92 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -163.22 145.41 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 72.319999999999993 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.09 132.03 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 111.168 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -99.91 82.52 2.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 73.5 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -64.19 -16.63 62.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.329999999999998 110.847 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.6 -26.26 67.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 62.100000000000001 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.37 152.66 78.83 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 121.711 0.767 . . . . 72.239999999999995 110.896 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 137.66 36.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 74.209999999999994 112.382 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.2 -25.09 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 64.420000000000002 111.129 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 m -56.5 -30.08 62.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 62.340000000000003 110.909 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -71.52 -25.68 62.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 73.099999999999994 110.933 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.0 t -51.97 -33.05 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.854 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -54.83 -26.05 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.040000000000006 110.839 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 mt -103.05 130.8 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.879 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.86 -49.96 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.519999999999996 111.089 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -58.43 -35.7 72.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 110.911 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -61.49 -45.69 93.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 55.350000000000001 110.941 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -58.16 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 43.520000000000003 110.807 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.65 -27.3 69.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.109999999999999 110.887 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -64.41 -50.3 68.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 74.310000000000002 110.896 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.79 -33.06 62.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 73.219999999999999 110.829 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.7 m -68.81 -52.24 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 43.039999999999999 110.885 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -65.87 -12.51 54.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 110.949 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.2 tp -78.77 -62.4 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.510000000000005 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.63 -52.27 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 62.119999999999997 110.854 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -10.1 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 70.140000000000001 110.941 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 48.45 31.53 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 70.25 110.901 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.76 -161.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 23.440000000000001 111.084 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 -36.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 73.230000000000004 110.834 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t -133.54 41.53 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 62.43 110.798 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.76 124.12 9.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 34.219999999999999 112.494 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -153.55 171.38 18.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 73.349999999999994 110.869 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -114.8 145.84 41.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 42.549999999999997 110.865 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.819 ' CE1' HD13 ' A' ' 48' ' ' ILE . 38.5 p90 -168.22 167.1 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 74.530000000000001 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 5.0 m-85 -58.68 121.26 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.954 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -87.74 -176.26 5.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 75.230000000000004 110.784 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -58.74 -23.22 59.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 73.430000000000007 110.905 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.3 15.43 13.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 110.881 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 57.2 23.88 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 110.87 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -109.91 135.75 50.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 72.120000000000005 110.873 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 7.5 mt -77.89 114.95 17.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 70.340000000000003 110.97 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -139.6 165.01 28.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.400000000000006 110.917 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 t -92.86 111.26 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.230000000000004 110.973 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.819 HD13 ' CE1' ' A' ' 38' ' ' PHE . 3.8 mp -108.31 145.71 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 60.530000000000001 111.169 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.0 m -112.45 144.93 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.019999999999996 110.881 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.93 112.49 18.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 65.200000000000003 110.92 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -116.03 112.75 22.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 75.310000000000002 110.928 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 87.6 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 73.120000000000005 110.869 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.73 0.3 . . . . 72.109999999999999 110.908 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -146.07 154.62 42.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.842 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -159.32 139.43 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 60.43 110.881 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.6 p -104.68 130.93 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.140000000000001 111.114 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.54 89.19 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 72.019999999999996 110.968 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.59 -20.26 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 72.430000000000007 110.915 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -64.63 -15.41 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.823 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.92 158.35 70.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 71.299999999999997 111.002 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 128.31 15.88 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.765 2.31 . . . . 65.209999999999994 112.366 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -68.24 -25.41 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 70.150000000000006 111.098 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.0 m -57.62 -29.72 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 110.851 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -70.48 -27.63 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 61.43 110.898 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.05 -30.84 38.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 70.209999999999994 110.928 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -57.58 -23.9 53.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 mt -106.18 138.39 42.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.109999999999999 110.886 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.28 -39.7 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.510000000000005 111.066 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -72.06 -34.8 69.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.099999999999994 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -61.11 -46.1 91.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 45.539999999999999 110.937 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -59.97 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.109999999999999 110.88 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -61.22 -30.88 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 61.399999999999999 110.923 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.62 -49.49 77.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 64.450000000000003 110.956 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -78.68 -28.15 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 70.530000000000001 110.818 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.5 m -72.71 -32.63 65.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 71.109999999999999 110.866 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -87.3 -10.02 53.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.109999999999999 110.932 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.03 -61.78 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 64.099999999999994 110.911 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.29 -51.94 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 63.119999999999997 110.817 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -71.62 -11.85 61.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.109999999999999 110.943 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.8 m80 50.1 31.5 5.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 64.510000000000005 110.839 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.71 -162.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 61.32 111.19 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -134.15 -37.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 71.329999999999998 110.919 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -133.44 41.04 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 62.420000000000002 110.832 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.22 119.43 5.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.73 . . . . 62.219999999999999 112.432 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -149.89 164.49 35.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 73.099999999999994 110.899 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -103.49 151.56 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 53.329999999999998 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -164.52 172.85 12.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.916 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.489 ' CE2' HD21 ' A' ' 45' ' ' LEU . 37.2 m-85 -69.31 140.89 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.319999999999993 110.94 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.78 169.95 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 72.439999999999998 110.867 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.15 -22.12 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.120000000000005 110.94 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -91.01 15.03 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 61.329999999999998 110.924 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 58.81 40.93 22.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 54.409999999999997 110.854 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -128.56 148.45 50.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 52.030000000000001 110.892 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD21 ' CE2' ' A' ' 39' ' ' TYR . 8.5 mt -90.82 124.14 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 53.450000000000003 110.925 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -143.48 162.05 36.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.891 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.8 t -94.41 110.71 22.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.839 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.62 143.49 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.329999999999998 111.123 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.4 m -117.88 129.9 55.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.310000000000002 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.16 120.92 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.219999999999999 110.9 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -113.56 120.35 40.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.5 110.908 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 63.140000000000001 110.916 179.937 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.841 0.353 . . . . 44.329999999999998 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -125.19 162.1 25.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.140000000000001 110.906 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -163.63 152.73 14.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 72.400000000000006 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -102.99 139.88 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 72.299999999999997 111.166 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.76 125.91 42.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 72.319999999999993 110.942 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.12 -16.79 28.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 60.420000000000002 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.0 15.1 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 53.229999999999997 110.959 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -98.91 134.84 21.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.652 0.739 . . . . 75.319999999999993 110.961 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.13 14.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.62 2.214 . . . . 75.150000000000006 112.375 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 45' ' ' LEU . 57.4 t -66.96 -29.46 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 111.112 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -65.15 -50.27 66.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 70.420000000000002 110.855 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -76.32 -8.77 57.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.230000000000004 110.853 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -30.5 71.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 72.030000000000001 110.864 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -56.39 -25.4 49.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 75.409999999999997 110.874 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.65 139.81 47.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 42.020000000000003 110.836 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.2 -29.89 16.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 65.420000000000002 111.133 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -90.12 -14.1 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 62.539999999999999 110.944 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -81.92 -42.23 19.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 72.340000000000003 110.911 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -63.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 53.399999999999999 110.872 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -52.2 -31.51 32.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 75.099999999999994 110.863 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -69.38 -50.16 48.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 73.129999999999995 110.902 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -68.17 -28.29 67.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 74.400000000000006 110.837 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 m -78.85 -52.73 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 41.229999999999997 110.874 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -68.39 -11.64 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 62.329999999999998 110.855 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 29' ' ' ASP . 4.1 tt -79.34 -62.24 1.75 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 50.130000000000003 110.875 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.558 ' N ' HD23 ' A' ' 28' ' ' LEU . 6.1 m-20 -94.21 -51.52 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 70.140000000000001 110.865 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -70.78 -9.44 57.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 72.030000000000001 110.925 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 51.16 27.56 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 72.420000000000002 110.796 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.15 -163.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 61.32 111.141 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -134.32 -41.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 74.310000000000002 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 t -128.22 38.9 3.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 54.509999999999998 110.835 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.38 123.89 23.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 54.030000000000001 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -145.46 170.82 15.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 70.299999999999997 110.818 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.1 m -103.94 145.63 29.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 64.409999999999997 110.88 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -162.22 162.77 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 61.509999999999998 110.863 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -76.75 147.9 37.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 71.219999999999999 110.932 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -104.48 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 72.349999999999994 110.828 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -63.42 -20.47 65.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 61.149999999999999 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -94.69 23.01 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 75.120000000000005 110.851 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 51.79 30.25 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 73.310000000000002 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -110.05 136.34 49.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.140000000000001 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB2' HG13 ' A' ' 13' ' ' VAL . 9.0 mt -88.13 125.15 34.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 71.400000000000006 110.935 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -142.86 175.51 9.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.9 t -105.02 110.66 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 75.430000000000007 110.889 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.57 134.74 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 75.349999999999994 111.193 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 12.1 m -106.44 142.67 35.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 74.310000000000002 110.903 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.54 117.64 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.200000000000003 110.789 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -117.0 113.18 21.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.340000000000003 110.912 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.409999999999997 110.863 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.894 0.378 . . . . 74.25 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 m -130.56 172.93 11.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.329999999999998 110.918 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 154.84 50.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 73.439999999999998 110.906 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -146.59 155.95 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.120000000000005 110.905 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -158.99 143.96 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 54.43 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.98 140.33 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 72.040000000000006 111.073 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -122.64 86.88 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.340000000000003 110.915 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.2 -20.87 57.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 74.209999999999994 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -57.01 -26.49 60.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.540000000000006 110.846 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -73.31 156.22 89.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.733 . . . . 60.409999999999997 110.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 130.52 19.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.269 . . . . 61.009999999999998 112.356 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.18 -30.06 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 71.329999999999998 111.159 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 p -56.06 -29.75 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.540000000000006 110.813 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.94 -24.01 60.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 70.109999999999999 110.854 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.9 t -51.69 -34.93 40.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 64.409999999999997 110.89 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.96 -31.0 66.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 75.230000000000004 110.898 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -83.84 133.04 34.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 64.400000000000006 110.892 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.64 -28.64 17.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 75.430000000000007 111.044 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -90.38 -13.7 34.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.299999999999997 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -82.52 -39.97 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.25 110.97 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -63.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 30.140000000000001 110.878 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -57.93 -27.8 63.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.329999999999998 110.923 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -67.41 -45.51 75.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 71.209999999999994 110.944 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.07 -27.88 48.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 73.150000000000006 110.855 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.9 m -76.34 -55.42 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.420000000000002 110.923 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -65.92 -11.63 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 65.430000000000007 110.951 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 29' ' ' ASP . 1.4 tt -79.11 -61.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 74.200000000000003 110.935 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.554 ' N ' HD23 ' A' ' 28' ' ' LEU . 3.5 m-20 -94.32 -52.05 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.856 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -10.02 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 71.400000000000006 110.915 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 51.94 25.95 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 71.510000000000005 110.895 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.11 -165.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 64.340000000000003 111.088 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -132.18 -40.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 73.319999999999993 110.887 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 t -126.51 39.73 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 61.009999999999998 110.884 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.69 116.71 3.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 42.340000000000003 112.487 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -150.47 162.81 39.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 71.310000000000002 110.817 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -103.42 152.05 22.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 64.319999999999993 110.887 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -158.7 152.69 23.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 75.420000000000002 110.85 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -58.62 136.5 57.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 75.439999999999998 110.957 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.55 -171.07 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.469 . . . . 62.32 110.93 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.12 -18.21 60.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 70.040000000000006 110.927 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -103.97 26.8 8.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 63.549999999999997 110.924 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? 57.52 23.4 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.439999999999998 110.91 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -102.03 128.48 48.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 61.549999999999997 110.931 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -89.32 116.18 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 55.439999999999998 110.88 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -131.61 158.39 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 65.409999999999997 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 t -92.9 109.59 21.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 44.119999999999997 110.863 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -97.59 136.72 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 111.132 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.7 m -111.48 129.13 56.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.019999999999996 110.906 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 9.5 t0 -114.87 120.73 40.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.845 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -108.05 118.7 37.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.409999999999997 110.898 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.0 t -131.23 137.75 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 65.340000000000003 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -137.94 120.89 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.319999999999993 110.937 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 72.230000000000004 110.914 -179.823 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.9 t70 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.845 0.355 . . . . 61.420000000000002 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 m -122.16 173.05 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 72.510000000000005 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -136.7 158.48 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.349999999999994 110.857 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -146.27 146.71 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 73.319999999999993 110.888 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -150.16 137.46 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 71.340000000000003 110.871 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.412 HG23 HG13 ' A' ' 48' ' ' ILE . 5.8 p -100.76 140.03 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 71.040000000000006 111.132 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.22 91.56 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 72.209999999999994 110.864 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.64 -21.87 64.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.310000000000002 110.913 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.2 -17.99 65.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 73.420000000000002 110.931 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -74.8 159.77 82.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 64.140000000000001 110.973 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 126.09 12.93 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.704 2.269 . . . . 54.25 112.354 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.07 -24.17 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 52.43 111.107 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -62.58 -30.32 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 110.849 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -68.54 -29.8 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.3 t -53.06 -30.11 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.530000000000001 110.859 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -58.15 -23.84 56.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 64.010000000000005 110.944 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -107.63 136.04 48.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.510000000000005 110.89 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.43 -29.09 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 42.329999999999998 111.116 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -81.12 -18.22 47.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 64.430000000000007 110.898 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -82.46 -40.47 21.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.409999999999997 110.862 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -61.69 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 72.430000000000007 110.89 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -30.17 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 75.420000000000002 110.865 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.98 -43.51 74.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.409999999999997 110.897 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -77.08 -27.82 54.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 74.209999999999994 110.883 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.3 m -78.77 -51.42 9.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.329999999999998 110.899 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -68.48 -12.39 61.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 55.549999999999997 110.904 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 tp -79.45 -62.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 65.450000000000003 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.79 -51.01 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 62.140000000000001 110.877 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -9.92 57.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 60.039999999999999 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 52.31 25.24 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 71.519999999999996 110.872 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.16 -165.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 111.12 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -132.57 -43.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 71.25 110.888 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -124.17 38.96 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.867 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.33 118.4 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 45.509999999999998 112.46 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -151.45 166.45 31.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 73.109999999999999 110.898 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.57 151.84 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.150000000000006 110.847 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -164.2 161.38 22.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 73.209999999999994 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -66.82 140.94 57.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 75.530000000000001 110.925 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.34 -176.41 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 71.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -64.31 -20.73 66.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 70.420000000000002 110.923 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -94.87 22.92 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.230000000000004 110.903 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 51.86 29.78 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.319999999999993 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -110.12 151.4 27.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.109999999999999 110.862 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 mt -101.29 120.8 40.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 44.43 110.883 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -139.14 161.58 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.430000000000007 110.882 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.48 110.43 22.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 110.896 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.412 HG13 HG23 ' A' ' 7' ' ' VAL . 4.2 mp -100.33 144.51 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 111.175 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.5 m -118.2 129.82 55.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 64.5 110.897 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.55 109.03 20.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.349999999999994 110.859 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -102.02 126.52 48.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 74.310000000000002 110.913 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.8 t -140.22 147.69 40.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 54.340000000000003 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -103.93 104.92 14.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 74.549999999999997 110.881 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.2 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 64.200000000000003 110.932 -179.84 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 t0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.85 0.357 . . . . 74.219999999999999 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 m -136.94 173.18 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 64.329999999999998 110.891 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -121.23 149.14 43.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 73.109999999999999 110.952 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.2 144.28 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 51.350000000000001 110.889 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -158.31 152.14 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 73.219999999999999 110.94 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.92 140.13 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 71.099999999999994 111.098 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.66 90.97 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.0 110.833 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.09 -13.39 62.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 73.420000000000002 110.901 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -65.91 -19.3 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.010000000000005 110.89 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.99 154.95 52.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 75.549999999999997 110.934 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.09 36.92 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 74.120000000000005 112.354 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.67 -29.48 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 51.409999999999997 111.15 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -54.59 -28.77 48.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 74.129999999999995 110.838 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -29.96 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 65.319999999999993 110.901 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 t -52.83 -30.44 33.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 64.530000000000001 110.938 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -57.89 -23.52 53.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 74.450000000000003 110.834 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -107.8 135.13 49.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 73.150000000000006 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.94 -33.53 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 41.43 111.084 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -76.12 -20.54 57.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 75.140000000000001 110.934 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -79.46 -41.34 27.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 61.420000000000002 110.951 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -63.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 52.109999999999999 110.868 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.95 -28.52 57.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 73.209999999999994 110.877 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -67.96 -49.33 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 71.239999999999995 110.943 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -28.64 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 61.439999999999998 110.808 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.7 m -75.95 -55.38 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 61.210000000000001 110.879 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -66.54 -11.72 54.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 65.299999999999997 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -79.29 -61.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 74.109999999999999 110.95 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.17 -51.81 4.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 73.010000000000005 110.872 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -70.58 -9.84 57.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.209999999999994 110.927 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 51.87 26.36 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 71.319999999999993 110.864 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -60.65 -165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 62.020000000000003 111.092 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -131.61 -42.05 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 72.420000000000002 110.857 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -126.3 38.9 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.420000000000002 110.803 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.92 117.39 5.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 54.299999999999997 112.491 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -151.09 166.83 29.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 72.549999999999997 110.927 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -103.43 152.39 21.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 64.150000000000006 110.915 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -163.54 154.38 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 75.439999999999998 110.843 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -59.58 143.9 49.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 61.210000000000001 110.882 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -101.41 -174.19 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 73.530000000000001 110.932 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.28 -21.3 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.439999999999998 110.854 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -98.85 26.21 5.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 53.25 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 55.15 26.04 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 70.099999999999994 110.894 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -105.78 134.5 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 62.399999999999999 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -91.77 126.19 36.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 35.030000000000001 110.989 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -144.05 161.16 39.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.310000000000002 110.909 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.0 t -94.19 110.59 22.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 72.430000000000007 110.872 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.49 142.29 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 53.229999999999997 111.112 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.3 m -117.37 132.13 56.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.219999999999999 110.855 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 21.8 t0 -118.89 122.79 43.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 42.25 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -113.99 121.66 44.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 54.030000000000001 110.935 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.3 m -102.9 175.56 5.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 62.509999999999998 110.853 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -107.3 104.7 14.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.519999999999996 110.854 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 74.349999999999994 110.981 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.807 0.337 . . . . 72.5 110.812 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.8 m -128.44 173.84 9.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 65.420000000000002 110.883 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -129.03 157.58 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 63.450000000000003 110.917 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.49 144.59 29.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 110.909 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -149.99 147.53 27.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 65.400000000000006 110.817 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -95.73 138.88 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 111.128 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.91 73.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 110.883 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -68.6 -12.32 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 65.340000000000003 110.809 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -83.02 -19.72 36.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 73.030000000000001 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.79 156.86 61.16 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.683 0.754 . . . . 62.009999999999998 110.956 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 127.7 14.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.626 2.217 . . . . 71.439999999999998 112.326 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.41 -18.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 111.055 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -56.32 -29.38 61.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 73.439999999999998 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -75.53 -22.86 56.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 73.549999999999997 110.849 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 t -51.95 -33.49 37.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 74.329999999999998 110.903 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -55.27 -26.22 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.239999999999995 110.966 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 mt -104.17 136.48 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 63.149999999999999 110.932 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.0 -30.12 16.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 75.049999999999997 111.119 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -80.14 -20.91 43.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.400000000000006 110.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -79.31 -41.26 28.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.88 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -63.04 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 62.329999999999998 110.88 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.99 -27.98 55.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 70.329999999999998 110.922 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -68.26 -48.89 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 64.420000000000002 110.954 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.44 -28.09 61.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 71.319999999999993 110.829 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -76.89 -52.84 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 50.350000000000001 110.862 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -68.6 -12.5 61.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 71.430000000000007 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 tp -79.33 -62.26 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 71.340000000000003 110.963 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.76 -50.95 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 73.140000000000001 110.882 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -9.78 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 70.439999999999998 110.922 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 52.37 25.21 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 62.549999999999997 110.889 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.01 -165.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 71.5 111.107 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -132.98 -43.84 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 75.450000000000003 110.908 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 t -123.37 38.71 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 55.329999999999998 110.923 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.57 114.72 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 72.430000000000007 112.523 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -148.61 164.07 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 75.349999999999994 110.888 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 p -103.82 151.18 23.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 40.030000000000001 110.876 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -162.41 156.67 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 71.010000000000005 110.889 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -61.81 138.08 58.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.946 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.34 -178.76 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 54.439999999999998 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.72 -22.92 66.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 65.349999999999994 110.916 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -100.6 25.95 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.209999999999994 110.908 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 56.45 26.31 10.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 62.450000000000003 110.873 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -102.41 123.77 46.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 74.340000000000003 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.11 122.49 27.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.140000000000001 110.92 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -142.07 160.45 40.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 52.109999999999999 110.901 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.9 t -93.85 110.61 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 33.109999999999999 110.882 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -100.81 139.28 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.310000000000002 111.147 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 m -113.51 127.55 56.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 71.129999999999995 110.875 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 111.56 23.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 64.109999999999999 110.823 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -103.43 122.13 44.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.956 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.69 134.44 46.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 62.409999999999997 110.833 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -129.86 125.65 36.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 75.340000000000003 110.944 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 74.310000000000002 110.927 -179.823 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.851 0.358 . . . . 34.420000000000002 110.83 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 m -121.43 173.16 7.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.040000000000006 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -143.7 159.22 42.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 71.420000000000002 110.878 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.59 162.08 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 71.099999999999994 110.821 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -164.6 150.91 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 62.240000000000002 110.895 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.42 140.1 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 64.040000000000006 111.139 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.45 91.86 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.430000000000007 110.924 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -62.67 -20.24 64.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 71.319999999999993 110.91 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.0 -21.48 59.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.209999999999994 110.826 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -72.84 159.93 84.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 52.350000000000001 110.924 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 120.79 7.52 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 71.219999999999999 112.317 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.12 -37.46 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 75.530000000000001 111.137 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.3 m -62.77 -50.05 72.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.010000000000005 110.861 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -73.11 -15.33 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 71.340000000000003 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -33.03 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 64.25 110.967 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -53.1 -27.07 18.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 72.239999999999995 110.825 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -79.9 129.87 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 74.200000000000003 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.23 -26.99 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 73.120000000000005 111.112 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -80.55 -22.18 41.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 72.120000000000005 110.798 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -82.26 -39.38 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 62.219999999999999 110.943 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -60.66 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 62.229999999999997 110.913 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -30.83 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.25 110.952 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.646 ' O ' HD23 ' A' ' 28' ' ' LEU . 51.0 t80 -66.32 -45.54 79.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 74.430000000000007 110.992 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -76.9 -33.27 57.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 74.140000000000001 110.836 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -68.3 -54.18 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 55.020000000000003 110.945 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -66.55 -11.38 52.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 64.129999999999995 110.903 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -78.89 -62.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 72.310000000000002 110.883 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -94.78 -51.93 4.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 64.420000000000002 110.897 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.83 -10.04 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 74.200000000000003 110.949 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 50.64 27.93 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.420000000000002 110.882 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -60.91 -165.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 73.340000000000003 111.097 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -37.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.219999999999999 110.869 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -130.51 38.78 3.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 74.409999999999997 110.919 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.17 122.83 19.36 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.76 -0.733 . . . . 73.409999999999997 112.435 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -146.31 168.45 21.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.369 . . . . 75.510000000000005 110.876 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.5 m -103.78 144.35 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.129999999999995 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -161.31 167.01 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 64.409999999999997 110.864 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -79.52 149.27 31.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 74.109999999999999 110.898 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -106.32 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 72.450000000000003 110.842 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.05 -20.98 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 74.140000000000001 110.914 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -94.83 22.69 6.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 60.409999999999997 110.914 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? 52.28 29.49 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.881 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -108.46 139.38 43.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.510000000000005 110.891 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -90.95 126.38 36.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.329999999999998 110.892 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -145.22 175.34 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 73.430000000000007 110.943 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 t -104.15 110.75 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 61.109999999999999 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -100.01 128.23 52.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 62.25 111.142 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 7.2 m -109.14 135.26 50.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 71.340000000000003 110.866 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.81 122.94 47.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 73.209999999999994 110.897 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -113.49 113.92 25.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 65.019999999999996 110.944 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 t -123.34 138.28 54.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 75.099999999999994 110.929 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -92.24 100.96 13.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.120000000000005 110.862 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.7 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 63.140000000000001 110.936 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 72.239999999999995 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.4 m -114.72 173.08 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 63.25 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -114.08 121.9 45.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.510000000000005 110.955 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -127.71 159.28 35.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 73.140000000000001 110.898 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.12 146.18 10.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 63.240000000000002 110.868 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.512 HG23 HG13 ' A' ' 48' ' ' ILE . 9.1 p -96.33 133.98 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 61.329999999999998 111.152 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.7 90.31 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 110.892 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.31 -16.51 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 52.119999999999997 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -19.47 61.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 74.299999999999997 110.867 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -94.97 153.0 39.96 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.694 0.759 . . . . 73.140000000000001 110.96 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 146.84 61.04 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.275 . . . . 74.150000000000006 112.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 45' ' ' LEU . 39.3 t -68.39 -15.77 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 63.450000000000003 111.084 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -57.63 -34.74 69.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.299999999999997 110.866 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -59.83 -34.9 73.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 72.200000000000003 110.83 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.74 -26.48 45.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 74.439999999999998 110.908 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -63.47 -21.28 66.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 44.409999999999997 110.899 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 mt -116.26 136.23 53.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 71.349999999999994 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.91 -25.08 22.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 60.25 111.06 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -86.9 -21.82 26.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 74.120000000000005 110.822 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -80.1 -40.69 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 70.129999999999995 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -62.09 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 43.100000000000001 110.86 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -57.31 -32.31 66.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -62.73 -49.73 73.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.230000000000004 111.004 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -73.16 -30.28 63.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.513 . . . . 74.230000000000004 110.838 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 m -69.52 -42.27 74.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 60.25 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -78.73 -9.54 59.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 72.319999999999993 110.893 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.04 -61.87 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 73.209999999999994 110.911 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -94.33 -52.28 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 61.009999999999998 110.803 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -9.86 58.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 71.430000000000007 110.916 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 m80 51.07 27.93 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 61.409999999999997 110.816 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -60.7 -165.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 54.229999999999997 111.087 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -131.02 -39.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 71.430000000000007 110.837 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -133.48 39.58 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 63.340000000000003 110.87 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.63 128.61 24.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 33.439999999999998 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -150.19 171.78 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.926 0.393 . . . . 62.43 110.885 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 p -103.19 157.6 16.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 73.549999999999997 110.955 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -167.38 163.71 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 71.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -76.4 138.74 40.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 60.409999999999997 110.96 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -99.79 -176.19 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 71.239999999999995 110.864 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -63.02 -21.74 66.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 71.540000000000006 110.905 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -94.86 23.08 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 51.130000000000003 110.901 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 51.61 30.17 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.150000000000006 110.917 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -109.14 146.66 33.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 70.25 110.809 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.535 ' O ' HG13 ' A' ' 13' ' ' VAL . 16.6 mt -99.99 119.87 38.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 52.200000000000003 110.892 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -133.68 167.56 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 72.519999999999996 110.945 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.6 t -94.46 110.45 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 75.209999999999994 110.87 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.512 HG13 HG23 ' A' ' 7' ' ' VAL . 3.9 mp -102.84 145.51 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 75.200000000000003 111.147 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 10.9 m -118.21 137.04 53.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 65.030000000000001 110.903 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.2 m-20 -119.8 125.22 48.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 65.420000000000002 110.845 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -116.42 112.81 21.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.530000000000001 110.916 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.9 m -103.26 128.81 50.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 62.140000000000001 110.879 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -109.16 106.6 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.099999999999994 110.851 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.8 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 70.239999999999995 110.916 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.868 0.366 . . . . 63.039999999999999 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 m -133.3 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 43.100000000000001 110.857 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.65 151.36 50.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 75.25 110.869 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -146.16 158.14 43.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.230000000000004 110.878 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -158.28 142.72 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.349999999999994 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.503 HG23 HG13 ' A' ' 48' ' ' ILE . 7.5 p -104.61 139.59 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.329999999999998 111.134 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.2 94.93 5.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.972 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.52 -33.22 75.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 75.409999999999997 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.11 -24.85 63.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.909 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -71.57 136.43 83.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.683 0.754 . . . . 63.439999999999998 110.936 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 134.69 28.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 55.219999999999999 112.371 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 45' ' ' LEU . 21.3 t -67.95 -15.86 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 55.350000000000001 111.149 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.6 m -57.72 -29.91 65.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 62.100000000000001 110.821 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -80.2 -22.65 41.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.150000000000006 110.853 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -53.28 -31.75 45.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 110.879 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -57.47 -23.28 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 75.409999999999997 110.95 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.5 mt -107.51 135.07 49.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.540000000000006 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.2 -31.31 16.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 34.340000000000003 111.067 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -79.01 -17.37 55.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 75.439999999999998 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -82.21 -41.25 20.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 55.119999999999997 110.895 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -61.47 -61.73 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 71.239999999999995 110.891 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.91 -29.88 63.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.939 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.45 -45.74 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.299999999999997 110.907 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -28.15 57.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 73.450000000000003 110.889 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m -76.79 -51.2 11.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.340000000000003 110.918 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -68.8 -12.21 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.010000000000005 110.938 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -79.17 -62.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.219999999999999 110.894 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -94.12 -50.98 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 64.030000000000001 110.844 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -10.47 59.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.430000000000007 110.845 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 51.48 26.19 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 63.130000000000003 110.901 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.39 -164.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.329999999999998 111.065 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -133.4 -40.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 63.130000000000003 110.857 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 m -126.21 38.59 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 65.120000000000005 110.879 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.37 118.84 7.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.77 -0.728 . . . . 45.409999999999997 112.483 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -150.86 167.79 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 72.310000000000002 110.857 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 p -103.72 152.47 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.400000000000006 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.07 159.99 11.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.420000000000002 110.843 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -65.17 140.56 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 75.120000000000005 110.876 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -102.94 -177.45 3.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 74.430000000000007 110.915 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -62.63 -20.96 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 73.430000000000007 110.908 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -94.9 22.94 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.230000000000004 110.904 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? 51.6 30.51 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.430000000000007 110.898 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -111.12 149.16 31.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.859 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.504 ' O ' HG22 ' A' ' 13' ' ' VAL . 13.5 mt -100.88 122.5 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.219999999999999 110.925 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -143.16 165.91 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 74.430000000000007 110.946 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.35 110.79 22.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 62.210000000000001 110.937 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.503 HG13 HG23 ' A' ' 7' ' ' VAL . 4.1 mp -101.55 137.68 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 53.340000000000003 111.043 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 m -112.15 131.74 55.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 75.340000000000003 110.949 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 14.9 t0 -120.33 121.99 39.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.030000000000001 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -113.71 113.21 24.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 70.430000000000007 110.951 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.0 t -121.51 141.43 51.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 40.130000000000003 110.878 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -118.06 108.97 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 62.130000000000003 110.824 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.7 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 75.150000000000006 110.834 -179.843 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.89 0.376 . . . . 71.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 m -133.64 173.07 11.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.150000000000006 110.891 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -116.27 118.26 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 110.897 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.3 148.91 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 74.439999999999998 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -156.23 145.72 20.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 110.885 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -98.23 140.46 18.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.120000000000005 111.159 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -112.39 84.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 64.109999999999999 110.958 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -63.61 -16.81 61.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 54.130000000000003 110.89 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -28.34 69.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.310000000000002 110.845 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.84 148.67 72.82 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 74.109999999999999 110.918 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 141.51 45.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.622 2.214 . . . . 61.409999999999997 112.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.7 t -68.36 -18.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 73.230000000000004 111.074 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -64.66 -30.53 71.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.219999999999999 110.842 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.05 -26.92 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 55.229999999999997 110.869 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.72 -31.6 38.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 70.310000000000002 110.919 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -56.38 -25.25 49.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 65.299999999999997 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.1 mt -103.68 136.64 43.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 72.310000000000002 110.975 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.55 -39.61 12.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.420000000000002 111.074 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -71.9 -19.68 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 32.030000000000001 110.893 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -43.4 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 33.32 110.89 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -62.64 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 110.931 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -54.13 -30.65 49.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 110.904 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -66.88 -50.2 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 75.450000000000003 110.96 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.56 -29.77 65.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.506 . . . . 74.239999999999995 110.89 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.1 m -74.34 -53.75 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 55.420000000000002 110.849 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -66.7 -11.62 55.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.109999999999999 110.93 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 29' ' ' ASP . 2.2 tm? -79.14 -62.1 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 71.310000000000002 110.949 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' HD13 ' A' ' 28' ' ' LEU . 28.1 t0 -94.39 -52.15 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.851 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -10.05 58.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 64.439999999999998 110.921 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 50.56 27.61 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 73.439999999999998 110.894 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.11 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.010000000000005 111.12 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -132.25 -39.76 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 75.310000000000002 110.867 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.5 t -128.89 38.82 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.040000000000006 110.852 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.73 120.07 8.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 63.140000000000001 112.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -149.45 168.4 23.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 50.409999999999997 110.86 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.4 p -103.41 154.17 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 54.229999999999997 110.889 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -165.05 159.9 18.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 64.430000000000007 110.892 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -70.45 132.91 46.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 71.049999999999997 110.959 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -89.6 -176.35 4.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 70.439999999999998 110.925 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.98 -22.61 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 63.130000000000003 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -99.41 25.75 6.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 72.349999999999994 110.82 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 54.35 27.29 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 54.25 110.879 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -101.83 124.2 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 60.299999999999997 110.897 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.521 ' H ' HD12 ' A' ' 45' ' ' LEU . 1.1 mp -85.23 114.8 22.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 72.299999999999997 110.964 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -134.16 166.34 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.230000000000004 110.883 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.7 t -94.48 110.44 22.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.040000000000006 110.874 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 142.71 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.540000000000006 111.102 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.1 m -116.64 133.91 55.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 54.240000000000002 110.874 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 46.1 t0 -118.17 124.77 48.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 73.310000000000002 110.886 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -122.44 113.16 18.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 73.109999999999999 110.904 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -118.83 137.11 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 60.399999999999999 110.849 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -111.31 106.07 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 64.319999999999993 110.883 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.439999999999998 110.925 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.804 0.335 . . . . 74.120000000000005 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -132.33 172.97 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 52.329999999999998 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 120.56 37.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 75.450000000000003 110.904 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -123.03 147.92 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 73.430000000000007 110.829 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -154.93 141.52 18.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 65.129999999999995 110.91 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.564 HG21 ' OE1' ' A' ' 46' ' ' GLN . 6.2 p -104.09 140.1 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 72.450000000000003 111.103 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.04 91.72 3.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 73.219999999999999 110.927 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.11 -19.56 65.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.021 -0.536 . . . . 64.25 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.64 -19.6 58.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 71.450000000000003 110.888 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -76.52 156.11 83.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.695 0.76 . . . . 75.239999999999995 110.914 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 127.98 15.29 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 64.25 112.322 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.5 t -68.28 -20.51 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 52.450000000000003 111.066 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m -69.54 -29.62 67.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 53.119999999999997 110.921 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.68 -23.71 59.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 72.010000000000005 110.9 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.8 t -51.38 -35.12 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 64.340000000000003 110.914 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.17 -31.58 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 73.409999999999997 110.894 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -81.01 135.16 35.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 74.019999999999996 110.918 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.68 -29.21 16.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 111.151 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -90.18 -15.99 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.120000000000005 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -80.33 -42.85 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 71.030000000000001 110.964 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.510000000000005 110.923 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -54.98 -29.55 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 52.350000000000001 110.858 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -68.7 -50.0 54.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 75.540000000000006 110.886 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.9 -28.13 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 75.120000000000005 110.901 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.7 m -78.53 -52.6 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 61.409999999999997 110.837 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -68.53 -12.2 60.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 51.43 110.948 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 29' ' ' ASP . 4.2 tt -79.18 -62.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 62.329999999999998 110.866 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.561 ' N ' HD23 ' A' ' 28' ' ' LEU . 5.4 m-20 -93.91 -50.96 5.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 71.230000000000004 110.843 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -10.23 58.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 72.329999999999998 110.92 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 t60 52.25 24.9 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 73.019999999999996 110.928 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.65 -163.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.010000000000005 111.072 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -134.43 -40.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 55.340000000000003 110.891 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.2 m -124.38 39.28 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 64.109999999999999 110.892 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.58 122.13 10.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 55.509999999999998 112.529 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -152.69 165.01 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 74.450000000000003 110.898 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.57 153.12 20.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 52.210000000000001 110.882 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -165.88 161.78 17.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.879 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.701 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 23.0 m-85 -60.79 136.02 57.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 73.25 110.894 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -101.21 -175.98 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 73.450000000000003 110.901 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -64.58 -20.58 66.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 45.539999999999999 110.897 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -93.91 19.12 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 72.439999999999998 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? 55.98 25.18 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.430000000000007 110.872 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -108.97 159.29 16.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 74.239999999999995 110.847 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.701 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 7.5 mt -101.56 117.03 34.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 74.549999999999997 110.958 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.564 ' OE1' HG21 ' A' ' 7' ' ' VAL . 63.0 mt-30 -132.81 159.93 38.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 62.229999999999997 110.864 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.9 t -93.22 109.84 21.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 63.439999999999998 110.875 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.404 HG13 HG23 ' A' ' 7' ' ' VAL . 4.3 mp -99.01 146.41 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 72.430000000000007 111.137 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.3 m -118.72 131.11 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 51.350000000000001 110.945 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.56 116.89 29.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 64.140000000000001 110.858 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -113.39 113.11 24.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 70.140000000000001 110.898 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -122.68 140.88 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 35.299999999999997 110.895 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -103.34 104.43 14.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 75.340000000000003 110.884 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.8 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 70.420000000000002 110.894 -179.85 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.865 0.364 . . . . 72.109999999999999 110.792 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 m -124.57 173.23 8.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 64.549999999999997 110.874 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -113.93 117.32 31.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 73.510000000000005 110.886 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.66 162.13 22.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.836 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -164.98 148.84 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.129999999999995 110.968 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.448 HG21 ' OE1' ' A' ' 46' ' ' GLN . 7.5 p -104.34 136.29 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 63.420000000000002 111.137 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.72 88.07 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 63.109999999999999 110.948 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.73 -19.38 64.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 60.020000000000003 110.872 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.22 -19.28 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.120000000000005 110.851 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -81.77 154.47 70.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.631 0.729 . . . . 72.109999999999999 110.907 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 125.69 12.45 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.749 2.3 . . . . 73.230000000000004 112.335 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.32 -15.95 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 72.099999999999994 111.113 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 m -61.97 -29.47 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 74.439999999999998 110.873 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -78.37 -18.82 54.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 53.140000000000001 110.895 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.2 t -51.09 -36.96 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 71.439999999999998 110.891 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -57.6 -32.59 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.329999999999998 110.863 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -81.61 134.38 35.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 110.922 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.09 -29.21 16.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 31.239999999999998 111.096 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -90.11 -17.52 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 75.349999999999994 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -77.35 -44.21 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.030000000000001 110.885 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -63.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 52.409999999999997 110.883 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -54.22 -28.22 39.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 55.119999999999997 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -69.03 -49.52 56.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.439999999999998 110.913 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -69.24 -30.81 69.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 74.219999999999999 110.835 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.6 m -76.52 -53.56 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 75.329999999999998 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -67.18 -11.38 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.430000000000007 110.892 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 29' ' ' ASP . 1.6 tt -78.99 -62.29 1.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 60.340000000000003 110.927 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.569 ' N ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -94.51 -51.89 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.540000000000006 110.916 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -70.92 -10.08 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 71.310000000000002 110.897 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.0 m80 50.51 28.62 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 74.349999999999994 110.847 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.82 -165.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 71.319999999999993 111.097 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -131.94 -40.37 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.109999999999999 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -125.63 38.83 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.340000000000003 110.858 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.44 116.39 4.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.668 -0.777 . . . . 62.030000000000001 112.504 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -152.16 165.8 33.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 70.319999999999993 110.942 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.5 p -103.67 152.71 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 61.399999999999999 110.888 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -165.56 155.0 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 64.549999999999997 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -58.88 144.07 45.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 71.340000000000003 110.967 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.95 -175.96 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 62.299999999999997 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.23 -19.95 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.329999999999998 110.885 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -94.6 22.31 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 70.349999999999994 110.915 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 52.65 28.91 6.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.129999999999995 110.843 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -112.02 152.95 27.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.349999999999994 110.96 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.11 126.64 46.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.93 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' OE1' HG21 ' A' ' 7' ' ' VAL . 47.7 mt-30 -144.58 157.84 44.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 72.409999999999997 110.896 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.0 t -93.15 110.53 22.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 64.109999999999999 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.406 HG13 HG23 ' A' ' 7' ' ' VAL . 3.9 mp -101.59 146.99 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 111.103 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.4 m -118.59 143.96 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 71.450000000000003 110.876 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -122.35 116.12 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 70.329999999999998 110.849 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -109.83 112.93 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.430000000000007 110.957 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 95.9 m -102.85 128.61 49.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 74.329999999999998 110.875 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -110.12 102.96 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.510000000000005 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 73.519999999999996 110.952 -179.854 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.847 0.356 . . . . 64.129999999999995 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 m -125.28 172.77 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.430000000000007 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.79 118.34 33.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 65.140000000000001 110.917 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -126.92 161.77 27.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 73.329999999999998 110.921 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -165.69 140.06 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 71.129999999999995 110.88 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.475 HG21 HE21 ' A' ' 46' ' ' GLN . 6.7 p -93.9 140.05 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 63.200000000000003 111.168 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -112.09 86.13 2.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 63.200000000000003 110.927 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.56 -16.64 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 74.150000000000006 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -64.46 -25.31 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.299999999999997 110.914 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.64 147.45 71.3 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.698 0.761 . . . . 73.329999999999998 110.925 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.57 42.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.622 2.215 . . . . 75.209999999999994 112.369 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -68.78 -15.91 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.140000000000001 111.12 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 m -69.06 -29.83 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 74.310000000000002 110.837 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -23.15 57.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 61.439999999999998 110.882 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.2 t -51.49 -34.31 35.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 51.530000000000001 110.811 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -58.93 -34.78 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.099999999999994 110.975 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.51 133.54 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 64.209999999999994 110.931 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.88 -30.46 16.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 74.219999999999999 111.168 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -88.26 -14.66 37.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.862 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -81.14 -43.03 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 61.439999999999998 110.912 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.44 -63.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 61.43 110.905 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -28.23 40.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 70.540000000000006 110.858 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -69.83 -49.08 56.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 110.931 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.11 -28.52 65.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 72.540000000000006 110.813 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.9 m -79.13 -51.2 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.120000000000005 110.892 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -12.06 61.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 71.310000000000002 110.883 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 29' ' ' ASP . 3.3 tt -78.81 -62.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 73.409999999999997 110.883 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.571 ' N ' HD23 ' A' ' 28' ' ' LEU . 4.7 m-20 -94.39 -50.85 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 50.509999999999998 110.873 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -10.53 59.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 65.099999999999994 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 50.71 27.4 2.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 71.099999999999994 110.862 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.29 -164.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 53.399999999999999 111.148 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -134.2 -40.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.299999999999997 110.792 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -125.29 39.54 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.898 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.34 126.21 18.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.67 -0.776 . . . . 53.420000000000002 112.487 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -158.07 166.21 33.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 53.509999999999998 110.882 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.1 p -103.74 153.47 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 71.329999999999998 110.826 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -167.16 157.68 11.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.230000000000004 110.87 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -66.37 135.05 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 74.200000000000003 111.01 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -96.39 -176.17 3.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 74.400000000000006 110.843 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.58 -23.1 64.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 75.340000000000003 110.848 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -94.73 22.33 6.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 110.926 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 52.07 29.44 6.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 75.150000000000006 110.832 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -105.95 135.69 46.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.109999999999999 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -89.68 114.66 26.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 61.240000000000002 110.933 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.475 HE21 HG21 ' A' ' 7' ' ' VAL . 6.9 mt-30 -137.25 162.8 32.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 74.140000000000001 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -93.78 110.51 22.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.219999999999999 110.896 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.24 143.93 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.519999999999996 111.111 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 9.1 m -109.3 142.93 39.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 65.349999999999994 110.933 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 18.1 m-20 -123.89 115.7 21.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 74.409999999999997 110.795 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -118.96 113.27 20.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.129999999999995 110.937 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -123.11 131.96 53.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 75.530000000000001 110.813 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -112.7 101.65 9.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 74.510000000000005 110.963 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 74.129999999999995 110.876 -179.82 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.784 0.326 . . . . 74.329999999999998 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.04 172.87 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 52.030000000000001 110.919 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -126.06 153.08 44.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 70.019999999999996 111.014 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -146.05 159.68 42.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 75.140000000000001 110.82 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -163.83 139.21 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.951 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -99.87 139.92 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 53.450000000000003 111.182 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.13 93.97 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 63.310000000000002 110.894 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.65 -31.15 66.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 44.149999999999999 110.855 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -61.41 -25.35 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 73.099999999999994 110.887 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.04 137.64 97.18 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.674 0.75 . . . . 62.140000000000001 110.957 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 135.59 30.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.23 . . . . 74.519999999999996 112.396 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.13 -19.37 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 73.530000000000001 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.6 m -68.66 -34.38 75.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 44.43 110.836 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.1 -26.04 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 64.299999999999997 110.887 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.8 t -52.25 -32.11 35.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 64.5 110.888 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -56.03 -26.4 48.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.209999999999994 110.896 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -103.18 129.75 50.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 110.854 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.24 -49.97 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 32.200000000000003 111.126 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -58.09 -41.13 82.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 64.5 110.923 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -56.27 -47.14 79.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 72.109999999999999 110.835 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -63.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 53.509999999999998 110.841 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -29.44 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.400000000000006 110.877 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.18 -48.91 74.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 74.450000000000003 110.934 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.85 -27.59 49.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 74.310000000000002 110.87 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -74.25 -37.48 63.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 74.010000000000005 110.867 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.88 -10.99 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.230000000000004 110.847 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 29' ' ' ASP . 8.6 tt -79.99 -61.98 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 62.409999999999997 110.914 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' N ' HD23 ' A' ' 28' ' ' LEU . 5.4 m-20 -94.02 -51.89 4.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 72.099999999999994 110.887 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -11.16 60.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 62.299999999999997 110.929 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.5 t60 51.26 28.27 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 110.844 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.07 -165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 70.129999999999995 111.083 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -133.12 -39.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.340000000000003 110.862 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -129.04 39.49 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.84 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.78 124.52 12.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.733 -0.746 . . . . 34.310000000000002 112.406 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -155.23 166.22 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.957 0.408 . . . . 64.329999999999998 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.2 p -107.61 145.65 33.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 73.129999999999995 110.856 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.719 ' CE1' HD13 ' A' ' 48' ' ' ILE . 33.4 p90 -167.04 162.75 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 63.409999999999997 110.903 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -58.76 138.08 57.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 110.892 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.14 -169.83 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 75.209999999999994 110.91 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.68 -20.72 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 110.884 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -93.83 19.42 8.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 55.420000000000002 110.927 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? 56.26 24.86 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 63.109999999999999 110.887 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.95 145.02 37.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.010000000000005 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.52 125.21 37.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.340000000000003 110.924 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -148.17 166.17 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.129999999999995 110.866 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.2 t -94.28 110.67 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 63.439999999999998 110.791 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.719 HD13 ' CE1' ' A' ' 38' ' ' PHE . 4.3 mp -103.77 140.87 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 65.530000000000001 111.132 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.2 m -111.41 135.26 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 54.140000000000001 110.902 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 8.5 m-20 -120.32 119.74 34.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.310000000000002 110.846 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -111.61 122.85 48.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.230000000000004 110.903 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.8 t -131.73 145.71 51.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 63.329999999999998 110.885 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -114.35 110.45 19.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 74.319999999999993 110.873 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 73.409999999999997 110.967 -179.851 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.834 0.35 . . . . 55.43 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.7 m -134.12 173.76 11.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 65.239999999999995 110.881 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -130.46 159.23 37.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 110.895 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.86 146.67 30.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.239999999999995 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -153.2 138.37 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 72.329999999999998 110.918 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 p -96.2 140.12 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 74.040000000000006 111.132 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.34 85.01 2.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 72.150000000000006 110.944 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.1 -20.52 58.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 75.319999999999993 110.937 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -57.91 -22.83 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.209999999999994 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.0 155.03 88.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.654 0.74 . . . . 71.400000000000006 110.915 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 121.68 8.38 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.645 2.23 . . . . 71.129999999999995 112.325 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.01 -15.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.109999999999999 111.143 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -69.68 -29.25 66.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 62.409999999999997 110.876 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -83.85 -12.15 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 53.350000000000001 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.4 t -51.8 -38.61 56.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 54.140000000000001 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -33.23 64.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 50.350000000000001 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.79 132.27 41.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.549999999999997 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -27.63 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 54.310000000000002 111.072 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -90.4 -15.42 31.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 72.230000000000004 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -82.22 -42.3 19.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 65.5 110.93 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -63.21 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 54.210000000000001 110.895 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -28.87 58.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.874 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -69.39 -42.06 75.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 110.949 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -77.99 -28.51 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.837 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.6 m -78.75 -51.51 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 72.150000000000006 110.886 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -68.7 -12.17 61.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 74.120000000000005 110.871 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -79.09 -62.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 65.140000000000001 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.09 -50.99 5.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 44.399999999999999 110.884 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -10.09 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 65.340000000000003 110.955 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.1 m80 51.21 26.59 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 70.450000000000003 110.832 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.46 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 111.117 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.96 -38.73 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 71.099999999999994 110.858 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 m -127.43 39.91 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 64.439999999999998 110.816 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.41 122.88 7.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 73.439999999999998 112.508 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -156.92 162.62 39.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.941 0.4 . . . . 33.210000000000001 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 p -103.35 151.12 23.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 42.329999999999998 110.827 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -161.24 154.1 20.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 70.349999999999994 110.902 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -58.95 134.01 56.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 72.049999999999997 110.999 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.42 -177.86 4.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.15 -0.477 . . . . 60.450000000000003 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.17 -19.15 64.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -101.19 24.68 9.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 74.430000000000007 110.917 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 57.41 23.49 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.200000000000003 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -103.19 127.45 50.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 71.329999999999998 110.921 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 mt -87.84 116.73 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 64.450000000000003 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -135.79 162.16 33.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 110.898 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.23 110.54 22.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 55.299999999999997 110.873 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -97.24 145.72 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 71.420000000000002 111.138 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 9.0 m -118.56 131.07 56.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.540000000000006 110.867 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.47 117.08 30.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 74.540000000000006 110.855 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -107.08 122.48 46.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 61.409999999999997 110.843 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.13 128.33 50.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 52.119999999999997 110.881 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -103.13 103.88 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.129999999999995 110.948 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 75.040000000000006 110.881 -179.834 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.812 0.339 . . . . 64.349999999999994 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -120.18 172.91 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 53.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.72 126.49 54.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 64.329999999999998 110.901 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.43 155.93 47.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.510000000000005 110.92 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -162.21 141.64 9.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 73.209999999999994 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -90.51 139.13 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.310000000000002 111.069 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -113.37 85.37 2.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 71.209999999999994 110.938 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -60.84 -20.02 60.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 75.019999999999996 110.882 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.27 -29.7 66.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 110.887 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.19 142.34 75.35 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.7 0.762 . . . . 72.450000000000003 110.946 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 141.93 46.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.745 2.297 . . . . 75.549999999999997 112.3 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.24 -15.72 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 75.049999999999997 111.152 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -70.04 -33.43 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 65.340000000000003 110.845 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.81 -20.28 59.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 65.329999999999998 110.902 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 t -51.53 -35.3 40.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 64.140000000000001 110.89 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -57.79 -33.29 68.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 62.140000000000001 110.947 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.24 133.13 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 51.130000000000003 110.936 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.16 -29.36 16.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 51.520000000000003 111.077 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -89.21 -17.61 28.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 73.409999999999997 110.838 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -77.43 -44.02 30.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 60.409999999999997 110.865 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -63.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.239999999999995 110.94 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -53.65 -29.52 38.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.219999999999999 110.858 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.71 -50.08 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 72.540000000000006 110.918 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.29 -36.01 80.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 64.439999999999998 110.873 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.2 m -71.7 -53.78 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.040000000000006 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -67.03 -10.97 55.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 72.430000000000007 110.953 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 29' ' ' ASP . 1.1 tt -78.93 -62.32 1.74 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 75.230000000000004 110.894 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' HB2' HD23 ' A' ' 28' ' ' LEU . 18.5 t0 -94.76 -52.07 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -9.95 58.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 53.119999999999997 110.905 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 50.08 28.97 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 75.420000000000002 110.864 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -60.82 -165.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 61.030000000000001 111.125 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.62 -39.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 73.319999999999993 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -125.38 39.15 4.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.349999999999994 110.854 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.73 118.56 6.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 63.049999999999997 112.543 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -153.41 167.71 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 65.420000000000002 110.923 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.8 p -103.42 152.43 21.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 65.200000000000003 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.84 156.48 22.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.299999999999997 110.917 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -62.08 137.36 58.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 75.439999999999998 110.923 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.67 -177.82 4.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 74.010000000000005 110.893 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.59 -20.15 65.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.443 . . . . 74.510000000000005 110.871 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -100.9 25.18 8.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 72.519999999999996 110.913 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 56.95 24.12 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 71.219999999999999 110.822 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -102.6 128.6 49.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.129999999999995 110.825 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.39 116.41 27.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 64.430000000000007 110.939 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -135.28 164.37 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 63.119999999999997 110.915 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.0 t -94.14 110.43 22.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.030000000000001 110.84 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.54 144.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 71.530000000000001 111.104 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.2 m -110.98 147.76 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.439999999999998 110.874 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 17.7 t70 -130.88 121.78 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.140000000000001 110.884 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -122.53 114.91 21.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.152 -0.476 . . . . 75.450000000000003 110.937 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.97 171.86 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 73.109999999999999 110.93 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -130.64 110.91 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.219999999999999 110.926 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 61.009999999999998 110.915 -179.818 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.855 0.36 . . . . 73.519999999999996 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -126.92 172.93 10.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 70.340000000000003 110.908 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -118.64 121.03 39.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.530000000000001 110.948 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -123.07 162.06 23.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -167.5 146.38 4.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 73.25 110.922 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -109.56 139.81 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 71.329999999999998 111.133 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.85 125.6 42.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 75.010000000000005 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.54 -16.4 39.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 74.239999999999995 110.855 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -92.17 15.12 14.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 51.509999999999998 110.902 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -94.76 135.03 24.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.704 0.764 . . . . 73.030000000000001 110.898 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 122.33 8.99 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.653 2.236 . . . . 74.230000000000004 112.347 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.52 -26.03 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 75.430000000000007 111.115 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 m -65.76 -47.99 73.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 62.340000000000003 110.871 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -76.08 -18.97 58.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.129999999999995 110.863 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -31.82 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 72.120000000000005 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -53.92 -27.61 31.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 63.439999999999998 110.89 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.0 mt -82.43 125.94 31.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.908 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.2 -51.67 16.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 73.409999999999997 111.081 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -62.71 -17.14 60.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 65.129999999999995 110.829 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -79.94 -42.98 22.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 73.329999999999998 110.887 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -63.04 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.109999999999999 110.856 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -52.06 -30.52 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 62.420000000000002 110.834 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -69.81 -49.6 51.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 64.25 110.927 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.88 -27.98 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 75.310000000000002 110.877 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -79.02 -51.79 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.120000000000005 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -69.68 -10.71 59.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 72.420000000000002 110.89 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -79.35 -62.33 1.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 75.439999999999998 110.899 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -94.48 -51.78 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 74.340000000000003 110.923 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -71.24 -9.98 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 64.150000000000006 110.854 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 50.13 29.11 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 74.030000000000001 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.0 -164.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 75.400000000000006 111.139 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -133.1 -39.93 0.93 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 75.519999999999996 110.826 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 t -126.83 38.69 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 55.119999999999997 110.858 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.67 123.56 23.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 74.409999999999997 112.521 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -148.05 169.49 19.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 75.430000000000007 110.89 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.7 m -103.7 145.76 29.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 110.879 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.95 174.44 7.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 72.040000000000006 110.917 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.575 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 70.8 m-85 -71.62 142.98 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 71.109999999999999 110.951 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.06 -176.35 3.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.1 -23.93 62.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 73.120000000000005 110.837 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -94.89 22.05 6.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.450000000000003 110.927 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 51.55 30.78 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 72.530000000000001 110.818 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.73 146.56 36.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 74.519999999999996 110.934 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 3.1 mt -86.68 114.64 23.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.530000000000001 110.91 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -136.86 175.16 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 71.340000000000003 110.915 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 t -101.98 110.63 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 65.129999999999995 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.69 128.84 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.010000000000005 111.158 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.0 m -103.32 131.88 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 52.229999999999997 110.85 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.439 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 47.7 t0 -114.8 124.17 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 65.430000000000007 110.85 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -125.5 112.91 16.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 75.209999999999994 110.954 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -122.91 141.97 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 55.409999999999997 110.871 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -128.28 124.43 36.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 62.420000000000002 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 110.921 -179.845 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 75.019999999999996 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m -115.66 173.71 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 63.439999999999998 110.96 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.5 152.64 38.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 110.918 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.05 146.47 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 110.872 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -156.93 143.53 18.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.400000000000006 110.897 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 48' ' ' ILE . 7.6 p -101.49 140.05 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.120000000000005 111.148 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -122.8 89.68 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 60.229999999999997 110.895 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.79 -21.67 56.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 70.239999999999995 110.899 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.08 -24.32 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 63.530000000000001 110.897 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -72.17 153.7 92.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.645 0.736 . . . . 64.040000000000006 110.964 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.3 6.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.594 2.196 . . . . 53.439999999999998 112.393 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -68.13 -15.91 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 75.230000000000004 111.118 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -29.58 66.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 64.109999999999999 110.953 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -83.88 -11.46 56.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 75.049999999999997 110.935 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.7 t -50.68 -39.94 52.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 110.854 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.79 -35.05 63.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 74.349999999999994 110.891 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.34 134.46 44.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 72.420000000000002 110.899 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -28.94 16.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 75.319999999999993 111.05 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -90.31 -15.51 31.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 65.319999999999993 110.887 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -80.49 -43.44 20.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 52.130000000000003 110.878 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -63.14 1.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 74.239999999999995 110.898 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -52.35 -30.73 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 110.904 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -68.88 -50.33 50.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 65.430000000000007 110.949 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.65 -29.3 69.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.230000000000004 110.843 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.3 m -78.4 -54.07 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 74.450000000000003 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -67.19 -10.99 56.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.219999999999999 110.875 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 tp -79.29 -62.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 73.219999999999999 110.872 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -94.45 -52.01 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.209999999999994 110.873 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -70.96 -9.21 57.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 65.019999999999996 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 50.77 28.36 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 74.340000000000003 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.442 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -60.62 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 75.230000000000004 111.13 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -132.32 -40.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 61.009999999999998 110.858 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t -127.85 39.64 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 34.350000000000001 110.853 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.15 118.95 5.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.655 -0.783 . . . . 74.150000000000006 112.543 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -152.47 163.81 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 63.100000000000001 110.931 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.6 p -103.41 153.02 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 74.040000000000006 110.883 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -166.55 156.66 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.340000000000003 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -58.95 141.85 52.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 70.349999999999994 110.91 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.0 -176.74 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 73.230000000000004 110.886 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.85 -20.04 66.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 35.43 110.84 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -94.21 20.95 7.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.129999999999995 110.88 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 53.74 27.47 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 65.209999999999994 110.9 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -110.05 155.53 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 64.349999999999994 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.15 121.51 42.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 70.400000000000006 110.934 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -140.36 159.67 41.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 65.25 110.927 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.8 t -93.34 110.58 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 71.510000000000005 110.876 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.414 HG13 HG23 ' A' ' 7' ' ' VAL . 4.0 mp -101.31 146.87 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 61.329999999999998 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.5 m -118.63 152.46 36.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.861 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.98 128.75 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 74.120000000000005 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -121.27 121.1 36.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.329999999999998 110.936 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.2 m -102.66 136.76 41.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 70.319999999999993 110.854 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -111.77 100.98 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 74.329999999999998 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.5 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 74.209999999999994 110.898 -179.831 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.833 0.349 . . . . 61.009999999999998 110.872 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 m -123.79 172.93 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 71.510000000000005 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -134.52 152.55 51.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 72.310000000000002 110.901 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -146.58 138.71 24.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 73.549999999999997 110.846 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -154.61 146.71 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.310000000000002 110.938 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -105.22 136.89 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 52.200000000000003 111.087 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -99.55 87.99 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 63.5 110.866 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.35 -32.42 62.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.843 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.54 -25.61 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 54.210000000000001 110.859 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.32 137.73 89.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.671 0.748 . . . . 74.510000000000005 110.917 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 138.43 37.96 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.71 2.274 . . . . 64.299999999999997 112.338 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.21 -15.85 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 111.118 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 m -69.19 -36.42 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 63.420000000000002 110.799 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -66.97 -26.7 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 110.867 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.5 t -52.38 -31.39 33.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 110.902 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.65 -27.25 58.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 65.040000000000006 110.85 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.9 135.36 43.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 73.010000000000005 110.89 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.04 -31.6 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 52.420000000000002 111.128 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -78.46 -20.42 50.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.150000000000006 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.14 -42.05 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 65.129999999999995 110.9 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -62.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.129999999999995 110.944 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -54.81 -30.72 57.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 53.43 110.907 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -66.68 -50.38 63.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 75.209999999999994 110.93 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -30.9 69.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 65.319999999999993 110.834 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.1 m -73.95 -53.14 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.915 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -67.33 -11.48 57.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 53.140000000000001 110.919 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 29' ' ' ASP . 2.1 tm? -79.19 -62.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 54.43 110.904 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' N ' HD13 ' A' ' 28' ' ' LEU . 5.9 m-20 -94.47 -51.91 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 110.9 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -70.85 -9.37 57.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 63.25 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 m80 50.98 28.24 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 74.140000000000001 110.912 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.34 -166.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 75.019999999999996 111.127 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.56 -40.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 62.210000000000001 110.868 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -131.51 39.2 3.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 54.350000000000001 110.847 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.22 121.82 10.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.756 . . . . 71.129999999999995 112.485 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -152.74 167.17 29.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.86 0.362 . . . . 71.219999999999999 110.909 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.4 p -103.83 150.1 24.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 70.5 110.933 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -162.7 164.39 26.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.866 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -65.44 139.01 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.400000000000006 110.918 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.59 -175.24 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 70.340000000000003 110.886 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.04 -22.73 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 75.439999999999998 110.879 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -102.23 26.92 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.119999999999997 110.866 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 56.47 26.85 11.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.129999999999995 110.848 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -102.19 126.34 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 43.140000000000001 110.872 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.53 121.31 27.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.140000000000001 110.893 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -142.68 163.63 32.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 52.310000000000002 110.886 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.1 t -94.6 111.11 22.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -105.09 147.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 65.430000000000007 111.086 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.8 m -117.63 137.05 52.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 62.240000000000002 110.823 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -113.2 120.94 42.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.430000000000007 110.906 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -112.32 120.66 42.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 75.319999999999993 110.937 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 t -145.72 128.41 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.95 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -112.99 105.68 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.540000000000006 110.872 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.4 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 62.450000000000003 110.9 -179.855 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.897 0.38 . . . . 60.539999999999999 110.82 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.5 m -121.87 173.34 7.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 54.329999999999998 110.857 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -111.42 114.86 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.120000000000005 110.886 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -121.59 155.23 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 64.140000000000001 110.92 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -163.22 145.41 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 72.319999999999993 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.09 132.03 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.129999999999995 111.168 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -99.91 82.52 2.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 73.5 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -64.19 -16.63 62.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.329999999999998 110.847 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.6 -26.26 67.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 62.100000000000001 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.37 152.66 78.83 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 121.711 0.767 . . . . 72.239999999999995 110.896 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 137.66 36.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 74.209999999999994 112.382 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.2 -25.09 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 64.420000000000002 111.129 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 m -56.5 -30.08 62.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 62.340000000000003 110.909 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -71.52 -25.68 62.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 73.099999999999994 110.933 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.0 t -51.97 -33.05 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.854 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -54.83 -26.05 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.040000000000006 110.839 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 mt -103.05 130.8 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.879 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.86 -49.96 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.519999999999996 111.089 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -58.43 -35.7 72.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 72.409999999999997 110.911 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -61.49 -45.69 93.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 55.350000000000001 110.941 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -58.16 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 43.520000000000003 110.807 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.65 -27.3 69.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.109999999999999 110.887 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -64.41 -50.3 68.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 74.310000000000002 110.896 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.79 -33.06 62.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 73.219999999999999 110.829 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.7 m -68.81 -52.24 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 43.039999999999999 110.885 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -65.87 -12.51 54.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.140000000000001 110.949 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.2 tp -78.77 -62.4 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.510000000000005 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.63 -52.27 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 62.119999999999997 110.854 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -10.1 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 70.140000000000001 110.941 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 48.45 31.53 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 70.25 110.901 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.76 -161.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 23.440000000000001 111.084 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 -36.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 73.230000000000004 110.834 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t -133.54 41.53 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 62.43 110.798 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.76 124.12 9.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 34.219999999999999 112.494 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -153.55 171.38 18.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 73.349999999999994 110.869 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -114.8 145.84 41.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 42.549999999999997 110.865 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.819 ' CE1' HD13 ' A' ' 48' ' ' ILE . 38.5 p90 -168.22 167.1 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 74.530000000000001 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 5.0 m-85 -58.68 121.26 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.954 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -87.74 -176.26 5.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 75.230000000000004 110.784 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -58.74 -23.22 59.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 73.430000000000007 110.905 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.3 15.43 13.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 110.881 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 57.2 23.88 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 110.87 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -109.91 135.75 50.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 72.120000000000005 110.873 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 7.5 mt -77.89 114.95 17.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 70.340000000000003 110.97 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -139.6 165.01 28.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.400000000000006 110.917 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 t -92.86 111.26 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.230000000000004 110.973 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.819 HD13 ' CE1' ' A' ' 38' ' ' PHE . 3.8 mp -108.31 145.71 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 60.530000000000001 111.169 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.0 m -112.45 144.93 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.019999999999996 110.881 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.93 112.49 18.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 65.200000000000003 110.92 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -116.03 112.75 22.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 75.310000000000002 110.928 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 87.6 m -102.89 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 73.120000000000005 110.869 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -119.9 112.44 19.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.911 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 110.935 -179.825 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.2 t70 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.821 0.344 . . . . 73.099999999999994 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -131.11 172.98 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 62.219999999999999 110.886 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? -124.86 150.68 46.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.109999999999999 110.908 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -146.07 154.62 42.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.842 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -159.32 139.43 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 60.43 110.881 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.6 p -104.68 130.93 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.140000000000001 111.114 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.54 89.19 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 72.019999999999996 110.968 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.59 -20.26 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 72.430000000000007 110.915 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -64.63 -15.41 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.823 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.92 158.35 70.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 71.299999999999997 111.002 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 128.31 15.88 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.765 2.31 . . . . 65.209999999999994 112.366 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -68.24 -25.41 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 70.150000000000006 111.098 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.0 m -57.62 -29.72 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.409999999999997 110.851 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -70.48 -27.63 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 61.43 110.898 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.05 -30.84 38.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 70.209999999999994 110.928 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -57.58 -23.9 53.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.109999999999999 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 mt -106.18 138.39 42.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.109999999999999 110.886 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.28 -39.7 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.510000000000005 111.066 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -72.06 -34.8 69.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.099999999999994 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -61.11 -46.1 91.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 45.539999999999999 110.937 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -59.97 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.109999999999999 110.88 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -61.22 -30.88 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 61.399999999999999 110.923 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.62 -49.49 77.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 64.450000000000003 110.956 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -78.68 -28.15 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 70.530000000000001 110.818 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.5 m -72.71 -32.63 65.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 71.109999999999999 110.866 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -87.3 -10.02 53.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.109999999999999 110.932 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.03 -61.78 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 64.099999999999994 110.911 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.29 -51.94 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 63.119999999999997 110.817 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -71.62 -11.85 61.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.109999999999999 110.943 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.8 m80 50.1 31.5 5.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 64.510000000000005 110.839 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.71 -162.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 61.32 111.19 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -134.15 -37.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 71.329999999999998 110.919 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -133.44 41.04 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 62.420000000000002 110.832 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.22 119.43 5.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.73 . . . . 62.219999999999999 112.432 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -149.89 164.49 35.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 73.099999999999994 110.899 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -103.49 151.56 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 53.329999999999998 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -164.52 172.85 12.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.239999999999995 110.916 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.489 ' CE2' HD21 ' A' ' 45' ' ' LEU . 37.2 m-85 -69.31 140.89 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.319999999999993 110.94 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.78 169.95 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 72.439999999999998 110.867 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.15 -22.12 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.120000000000005 110.94 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -91.01 15.03 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 61.329999999999998 110.924 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 58.81 40.93 22.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 54.409999999999997 110.854 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -128.56 148.45 50.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 52.030000000000001 110.892 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD21 ' CE2' ' A' ' 39' ' ' TYR . 8.5 mt -90.82 124.14 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 53.450000000000003 110.925 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -143.48 162.05 36.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 74.299999999999997 110.891 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.8 t -94.41 110.71 22.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.839 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.62 143.49 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.329999999999998 111.123 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.4 m -117.88 129.9 55.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.310000000000002 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.16 120.92 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.219999999999999 110.9 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -113.56 120.35 40.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.5 110.908 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.0 t -129.39 137.84 51.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 63.140000000000001 110.916 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -123.45 101.77 7.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 74.140000000000001 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 73.109999999999999 110.941 -179.87 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.933 0.397 . . . . 64.140000000000001 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 m -117.8 172.85 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 71.219999999999999 110.805 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.24 122.47 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 44.329999999999998 110.877 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -125.19 162.1 25.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.140000000000001 110.906 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -163.63 152.73 14.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 72.400000000000006 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -102.99 139.88 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 72.299999999999997 111.166 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.76 125.91 42.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 72.319999999999993 110.942 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.12 -16.79 28.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 60.420000000000002 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.0 15.1 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 53.229999999999997 110.959 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -98.91 134.84 21.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.652 0.739 . . . . 75.319999999999993 110.961 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.13 14.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.62 2.214 . . . . 75.150000000000006 112.375 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 45' ' ' LEU . 57.4 t -66.96 -29.46 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 111.112 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -65.15 -50.27 66.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 70.420000000000002 110.855 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -76.32 -8.77 57.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.230000000000004 110.853 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -30.5 71.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 72.030000000000001 110.864 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -56.39 -25.4 49.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 75.409999999999997 110.874 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.65 139.81 47.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 42.020000000000003 110.836 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.2 -29.89 16.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 65.420000000000002 111.133 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -90.12 -14.1 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 62.539999999999999 110.944 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -81.92 -42.23 19.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 72.340000000000003 110.911 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -63.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 53.399999999999999 110.872 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -52.2 -31.51 32.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 75.099999999999994 110.863 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -69.38 -50.16 48.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 73.129999999999995 110.902 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -68.17 -28.29 67.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 74.400000000000006 110.837 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 m -78.85 -52.73 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 41.229999999999997 110.874 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -68.39 -11.64 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 62.329999999999998 110.855 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 29' ' ' ASP . 4.1 tt -79.34 -62.24 1.75 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 50.130000000000003 110.875 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.558 ' N ' HD23 ' A' ' 28' ' ' LEU . 6.1 m-20 -94.21 -51.52 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 70.140000000000001 110.865 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -70.78 -9.44 57.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 72.030000000000001 110.925 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 51.16 27.56 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 72.420000000000002 110.796 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.15 -163.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 61.32 111.141 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -134.32 -41.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 74.310000000000002 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 t -128.22 38.9 3.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 54.509999999999998 110.835 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.38 123.89 23.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 54.030000000000001 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -145.46 170.82 15.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 70.299999999999997 110.818 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.1 m -103.94 145.63 29.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 64.409999999999997 110.88 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -162.22 162.77 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 61.509999999999998 110.863 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -76.75 147.9 37.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 71.219999999999999 110.932 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -104.48 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 72.349999999999994 110.828 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -63.42 -20.47 65.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 61.149999999999999 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -94.69 23.01 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 75.120000000000005 110.851 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 51.79 30.25 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 73.310000000000002 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -110.05 136.34 49.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.140000000000001 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB2' HG13 ' A' ' 13' ' ' VAL . 9.0 mt -88.13 125.15 34.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 71.400000000000006 110.935 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -142.86 175.51 9.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.9 t -105.02 110.66 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 75.430000000000007 110.889 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.57 134.74 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 75.349999999999994 111.193 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 12.1 m -106.44 142.67 35.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 74.310000000000002 110.903 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.54 117.64 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.200000000000003 110.789 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -117.0 113.18 21.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.340000000000003 110.912 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.67 143.63 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.409999999999997 110.863 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -125.46 110.48 13.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 75.519999999999996 110.925 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 71.439999999999998 110.884 -179.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.78 0.324 . . . . 73.44 110.906 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -146.59 155.95 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.905 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -158.99 143.96 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 54.43 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.98 140.33 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 72.04 111.073 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -122.64 86.88 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.915 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.2 -20.87 57.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 74.21 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -57.01 -26.49 60.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.846 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -73.31 156.22 89.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.733 . . . . 60.41 110.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 130.52 19.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.269 . . . . 61.01 112.356 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.18 -30.06 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 71.33 111.159 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 p -56.06 -29.75 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.813 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.94 -24.01 60.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 70.11 110.854 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.9 t -51.69 -34.93 40.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 64.41 110.89 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.96 -31.0 66.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.898 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -83.84 133.04 34.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 64.4 110.892 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.64 -28.64 17.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 75.43 111.044 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -90.38 -13.7 34.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -82.52 -39.97 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.25 110.97 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -63.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 30.14 110.878 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -57.93 -27.8 63.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.923 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -67.41 -45.51 75.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.944 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.07 -27.88 48.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 73.15 110.855 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.9 m -76.34 -55.42 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.923 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -65.92 -11.63 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 65.43 110.951 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 29' ' ' ASP . 1.4 tt -79.11 -61.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 74.2 110.935 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.554 ' N ' HD23 ' A' ' 28' ' ' LEU . 3.5 m-20 -94.32 -52.05 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.856 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -10.02 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 71.4 110.915 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 51.94 25.95 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 71.51 110.895 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.11 -165.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 64.34 111.088 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -132.18 -40.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 73.32 110.887 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 t -126.51 39.73 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 61.01 110.884 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.69 116.71 3.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 42.34 112.487 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -150.47 162.81 39.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 71.31 110.817 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -103.42 152.05 22.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 64.32 110.887 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -158.7 152.69 23.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 75.42 110.85 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -58.62 136.5 57.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.957 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.55 -171.07 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.469 . . . . 62.32 110.93 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.12 -18.21 60.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 70.04 110.927 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -103.97 26.8 8.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 63.55 110.924 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? 57.52 23.4 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.91 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -102.03 128.48 48.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 61.55 110.931 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -89.32 116.18 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 55.44 110.88 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -131.61 158.39 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 65.41 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 t -92.9 109.59 21.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 44.12 110.863 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -97.59 136.72 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.23 111.132 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.7 m -111.48 129.13 56.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.02 110.906 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 9.5 t0 -114.87 120.73 40.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.845 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -108.05 118.7 37.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.898 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 65.34 110.871 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.775 0.321 . . . . 73.35 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -146.27 146.71 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.888 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -150.16 137.46 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.871 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.412 HG23 HG13 ' A' ' 48' ' ' ILE . 5.8 p -100.76 140.03 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 71.04 111.132 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.22 91.56 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.864 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.64 -21.87 64.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.31 110.913 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.2 -17.99 65.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 73.42 110.931 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -74.8 159.77 82.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 64.14 110.973 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 126.09 12.93 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.704 2.269 . . . . 54.25 112.354 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.07 -24.17 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 52.43 111.107 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -62.58 -30.32 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.849 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -68.54 -29.8 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.3 t -53.06 -30.11 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -58.15 -23.84 56.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 64.01 110.944 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -107.63 136.04 48.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.89 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.43 -29.09 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 42.33 111.116 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -81.12 -18.22 47.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 64.43 110.898 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -82.46 -40.47 21.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.862 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -61.69 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 72.43 110.89 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -30.17 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.865 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.98 -43.51 74.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.897 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -77.08 -27.82 54.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.883 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.3 m -78.77 -51.42 9.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.899 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -68.48 -12.39 61.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 55.55 110.904 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 tp -79.45 -62.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 65.45 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.79 -51.01 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 62.14 110.877 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -9.92 57.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 60.04 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 52.31 25.24 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 71.52 110.872 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.16 -165.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 74.44 111.12 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -132.57 -43.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 71.25 110.888 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -124.17 38.96 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.867 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.33 118.4 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 45.51 112.46 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -151.45 166.45 31.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 73.11 110.898 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.57 151.84 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.15 110.847 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -164.2 161.38 22.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 73.21 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -66.82 140.94 57.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 75.53 110.925 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.34 -176.41 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 71.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -64.31 -20.73 66.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 70.42 110.923 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -94.87 22.92 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.23 110.903 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 51.86 29.78 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.32 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -110.12 151.4 27.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.862 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 mt -101.29 120.8 40.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 44.43 110.883 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -139.14 161.58 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.43 110.882 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.48 110.43 22.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.896 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.412 HG13 HG23 ' A' ' 7' ' ' VAL . 4.2 mp -100.33 144.51 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.22 111.175 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.5 m -118.2 129.82 55.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 64.5 110.897 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.55 109.03 20.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.35 110.859 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -102.02 126.52 48.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.913 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 54.34 110.862 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.774 0.321 . . . . 73.11 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.2 144.28 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 51.35 110.889 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -158.31 152.14 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 73.22 110.94 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.92 140.13 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 71.1 111.098 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.66 90.97 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.0 110.833 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.09 -13.39 62.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.901 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -65.91 -19.3 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.01 110.89 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.99 154.95 52.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 75.55 110.934 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.09 36.92 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 74.12 112.354 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.67 -29.48 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 51.41 111.15 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -54.59 -28.77 48.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.838 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -29.96 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 65.32 110.901 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 t -52.83 -30.44 33.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 64.53 110.938 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -57.89 -23.52 53.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.834 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -107.8 135.13 49.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 73.15 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.94 -33.53 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 41.43 111.084 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -76.12 -20.54 57.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 75.14 110.934 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -79.46 -41.34 27.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.951 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -63.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 52.11 110.868 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.95 -28.52 57.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.877 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -67.96 -49.33 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 71.24 110.943 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -28.64 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 61.44 110.808 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.7 m -75.95 -55.38 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 61.21 110.879 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -66.54 -11.72 54.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 65.3 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -79.29 -61.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 74.11 110.95 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.17 -51.81 4.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 73.01 110.872 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -70.58 -9.84 57.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.927 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 51.87 26.36 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 71.32 110.864 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -60.65 -165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 62.02 111.092 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -131.61 -42.05 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 72.42 110.857 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -126.3 38.9 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.803 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.92 117.39 5.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 54.3 112.491 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -151.09 166.83 29.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 72.55 110.927 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -103.43 152.39 21.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 64.15 110.915 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -163.54 154.38 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.843 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -59.58 143.9 49.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 61.21 110.882 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -101.41 -174.19 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 73.53 110.932 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.28 -21.3 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.854 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -98.85 26.21 5.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 53.25 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 55.15 26.04 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 70.1 110.894 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -105.78 134.5 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 62.4 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -91.77 126.19 36.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 35.03 110.989 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -144.05 161.16 39.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.909 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.0 t -94.19 110.59 22.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.872 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.49 142.29 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 53.23 111.112 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.3 m -117.37 132.13 56.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.855 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.455 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 21.8 t0 -118.89 122.79 43.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 42.25 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -113.99 121.66 44.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 54.03 110.935 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 62.51 110.853 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.763 0.316 . . . . 63.45 110.917 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.49 144.59 29.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.909 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -149.99 147.53 27.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 65.4 110.817 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -95.73 138.88 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.32 111.128 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.91 73.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.883 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -68.6 -12.32 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 65.34 110.809 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -83.02 -19.72 36.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 73.03 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.79 156.86 61.16 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.683 0.754 . . . . 62.01 110.956 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 127.7 14.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.626 2.217 . . . . 71.44 112.326 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.41 -18.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 72.32 111.055 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -56.32 -29.38 61.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -75.53 -22.86 56.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 73.55 110.849 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 t -51.95 -33.49 37.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 74.33 110.903 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -55.27 -26.22 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.966 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 mt -104.17 136.48 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 63.15 110.932 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.0 -30.12 16.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 75.05 111.119 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -80.14 -20.91 43.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -79.31 -41.26 28.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.88 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -63.04 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.88 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.99 -27.98 55.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 70.33 110.922 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -68.26 -48.89 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 64.42 110.954 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.44 -28.09 61.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 71.32 110.829 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -76.89 -52.84 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 50.35 110.862 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -68.6 -12.5 61.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 tp -79.33 -62.26 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 71.34 110.963 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.76 -50.95 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 73.14 110.882 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -9.78 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.922 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 52.37 25.21 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 62.55 110.889 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.01 -165.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 71.5 111.107 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -132.98 -43.84 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 75.45 110.908 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 t -123.37 38.71 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 55.33 110.923 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.57 114.72 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 72.43 112.523 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -148.61 164.07 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 75.35 110.888 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 p -103.82 151.18 23.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 40.03 110.876 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -162.41 156.67 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 71.01 110.889 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -61.81 138.08 58.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.946 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.34 -178.76 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 54.44 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.72 -22.92 66.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.916 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -100.6 25.95 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.908 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 56.45 26.31 10.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 62.45 110.873 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -102.41 123.77 46.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.11 122.49 27.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.92 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -142.07 160.45 40.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 52.11 110.901 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.9 t -93.85 110.61 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 33.11 110.882 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -100.81 139.28 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.147 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 m -113.51 127.55 56.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.875 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 111.56 23.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 64.11 110.823 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -103.43 122.13 44.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.956 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.833 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.838 0.351 . . . . 71.42 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.59 162.08 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 71.1 110.821 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -164.6 150.91 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 62.24 110.895 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.42 140.1 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 64.04 111.139 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.45 91.86 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.924 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -62.67 -20.24 64.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 71.32 110.91 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.0 -21.48 59.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.826 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -72.84 159.93 84.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 52.35 110.924 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 120.79 7.52 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 71.22 112.317 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.12 -37.46 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 75.53 111.137 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.3 m -62.77 -50.05 72.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.01 110.861 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -73.11 -15.33 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -33.03 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 64.25 110.967 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -53.1 -27.07 18.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 72.24 110.825 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -79.9 129.87 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 74.2 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.23 -26.99 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 73.12 111.112 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -80.55 -22.18 41.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.798 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -82.26 -39.38 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 62.22 110.943 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -60.66 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 62.23 110.913 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -30.83 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.25 110.952 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.646 ' O ' HD23 ' A' ' 28' ' ' LEU . 51.0 t80 -66.32 -45.54 79.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.992 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -76.9 -33.27 57.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 74.14 110.836 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -68.3 -54.18 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 55.02 110.945 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -66.55 -11.38 52.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 64.13 110.903 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -78.89 -62.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 72.31 110.883 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -94.78 -51.93 4.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 64.42 110.897 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.83 -10.04 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 74.2 110.949 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 50.64 27.93 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.882 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -60.91 -165.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 73.34 111.097 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -37.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.869 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -130.51 38.78 3.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.919 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.17 122.83 19.36 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.76 -0.733 . . . . 73.41 112.435 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -146.31 168.45 21.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.369 . . . . 75.51 110.876 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.5 m -103.78 144.35 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -161.31 167.01 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.864 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -79.52 149.27 31.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 74.11 110.898 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -106.32 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 72.45 110.842 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.05 -20.98 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.914 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -94.83 22.69 6.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 60.41 110.914 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? 52.28 29.49 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.881 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -108.46 139.38 43.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.891 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -90.95 126.38 36.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.892 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -145.22 175.34 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.943 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 t -104.15 110.75 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 61.11 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -100.01 128.23 52.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 62.25 111.142 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 7.2 m -109.14 135.26 50.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 71.34 110.866 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.81 122.94 47.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.897 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -113.49 113.92 25.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 65.02 110.944 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 75.1 110.929 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.769 0.319 . . . . 64.51 110.955 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -127.71 159.28 35.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 73.14 110.898 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.12 146.18 10.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 63.24 110.868 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.512 HG23 HG13 ' A' ' 48' ' ' ILE . 9.1 p -96.33 133.98 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 61.33 111.152 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.7 90.31 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.892 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.31 -16.51 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -19.47 61.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.867 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -94.97 153.0 39.96 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.694 0.759 . . . . 73.14 110.96 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 146.84 61.04 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.275 . . . . 74.15 112.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 45' ' ' LEU . 39.3 t -68.39 -15.77 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 63.45 111.084 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -57.63 -34.74 69.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.866 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -59.83 -34.9 73.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 72.2 110.83 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.74 -26.48 45.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.908 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -63.47 -21.28 66.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 44.41 110.899 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 mt -116.26 136.23 53.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.91 -25.08 22.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 60.25 111.06 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -86.9 -21.82 26.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 74.12 110.822 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -80.1 -40.69 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 70.13 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -62.09 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 43.1 110.86 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -57.31 -32.31 66.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -62.73 -49.73 73.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.23 111.004 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -73.16 -30.28 63.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.513 . . . . 74.23 110.838 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 m -69.52 -42.27 74.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 60.25 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -78.73 -9.54 59.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 72.32 110.893 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.04 -61.87 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.911 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -94.33 -52.28 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 61.01 110.803 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -9.86 58.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 71.43 110.916 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 m80 51.07 27.93 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 61.41 110.816 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -60.7 -165.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 54.23 111.087 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -131.02 -39.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 71.43 110.837 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -133.48 39.58 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 63.34 110.87 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.63 128.61 24.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 33.44 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -150.19 171.78 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.926 0.393 . . . . 62.43 110.885 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 p -103.19 157.6 16.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.955 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -167.38 163.71 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 71.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -76.4 138.74 40.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 60.41 110.96 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -99.79 -176.19 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.864 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -63.02 -21.74 66.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.905 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -94.86 23.08 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 51.13 110.901 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 51.61 30.17 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.15 110.917 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -109.14 146.66 33.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 70.25 110.809 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.535 ' O ' HG13 ' A' ' 13' ' ' VAL . 16.6 mt -99.99 119.87 38.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 52.2 110.892 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -133.68 167.56 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 72.52 110.945 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.6 t -94.46 110.45 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 75.21 110.87 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.512 HG13 HG23 ' A' ' 7' ' ' VAL . 3.9 mp -102.84 145.51 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 75.2 111.147 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 10.9 m -118.21 137.04 53.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 65.03 110.903 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.435 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.2 m-20 -119.8 125.22 48.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 65.42 110.845 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -116.42 112.81 21.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.53 110.916 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 62.14 110.879 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.799 0.333 . . . . 75.25 110.869 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -146.16 158.14 43.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.878 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -158.28 142.72 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.503 HG23 HG13 ' A' ' 48' ' ' ILE . 7.5 p -104.61 139.59 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.33 111.134 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.2 94.93 5.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.972 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.52 -33.22 75.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.11 -24.85 63.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.909 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -71.57 136.43 83.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.683 0.754 . . . . 63.44 110.936 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 134.69 28.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 55.22 112.371 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 45' ' ' LEU . 21.3 t -67.95 -15.86 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 55.35 111.149 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.6 m -57.72 -29.91 65.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 62.1 110.821 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -80.2 -22.65 41.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.853 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -53.28 -31.75 45.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 73.3 110.879 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -57.47 -23.28 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 75.41 110.95 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.5 mt -107.51 135.07 49.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.2 -31.31 16.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 34.34 111.067 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -79.01 -17.37 55.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 75.44 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -82.21 -41.25 20.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 55.12 110.895 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -61.47 -61.73 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 71.24 110.891 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -29.88 63.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.939 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.45 -45.74 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.3 110.907 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -28.15 57.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 73.45 110.889 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m -76.79 -51.2 11.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.918 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -68.8 -12.21 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.01 110.938 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -79.17 -62.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.894 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -94.12 -50.98 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 64.03 110.844 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -10.47 59.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.845 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 51.48 26.19 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 63.13 110.901 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.39 -164.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.33 111.065 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -133.4 -40.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 63.13 110.857 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 m -126.21 38.59 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 65.12 110.879 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.37 118.84 7.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.77 -0.728 . . . . 45.41 112.483 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -150.86 167.79 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 72.31 110.857 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 p -103.72 152.47 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.4 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.07 159.99 11.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.843 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -65.17 140.56 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.876 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -102.94 -177.45 3.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.915 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -62.63 -20.96 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.908 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -94.9 22.94 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.23 110.904 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? 51.6 30.51 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.898 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -111.12 149.16 31.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.859 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' O ' HG22 ' A' ' 13' ' ' VAL . 13.5 mt -100.88 122.5 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.925 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -143.16 165.91 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.946 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.35 110.79 22.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 62.21 110.937 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.503 HG13 HG23 ' A' ' 7' ' ' VAL . 4.1 mp -101.55 137.68 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 53.34 111.043 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 m -112.15 131.74 55.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.949 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 14.9 t0 -120.33 121.99 39.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.03 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -113.71 113.21 24.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 70.43 110.951 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 40.13 110.878 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.735 0.303 . . . . 73.22 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.3 148.91 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 74.44 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -156.23 145.72 20.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.885 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -98.23 140.46 18.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.12 111.159 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -112.39 84.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 64.11 110.958 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -63.61 -16.81 61.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 54.13 110.89 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -28.34 69.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.31 110.845 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.84 148.67 72.82 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 74.11 110.918 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 141.51 45.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.622 2.214 . . . . 61.41 112.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.7 t -68.36 -18.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.074 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -64.66 -30.53 71.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.22 110.842 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.05 -26.92 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 55.23 110.869 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.72 -31.6 38.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 70.31 110.919 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -56.38 -25.25 49.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 65.3 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.1 mt -103.68 136.64 43.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 72.31 110.975 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.55 -39.61 12.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.074 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -71.9 -19.68 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 32.03 110.893 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -43.4 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 33.32 110.89 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -62.64 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.931 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -54.13 -30.65 49.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.904 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -66.88 -50.2 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.96 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.56 -29.77 65.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.506 . . . . 74.24 110.89 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.1 m -74.34 -53.75 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 55.42 110.849 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -66.7 -11.62 55.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.93 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 29' ' ' ASP . 2.2 tm? -79.14 -62.1 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.949 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' HD13 ' A' ' 28' ' ' LEU . 28.1 t0 -94.39 -52.15 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.851 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -10.05 58.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 64.44 110.921 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 50.56 27.61 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 73.44 110.894 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.11 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.01 111.12 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -132.25 -39.76 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.867 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.5 t -128.89 38.82 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.852 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.73 120.07 8.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 63.14 112.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -149.45 168.4 23.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 50.41 110.86 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.4 p -103.41 154.17 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 54.23 110.889 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -165.05 159.9 18.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 64.43 110.892 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -70.45 132.91 46.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 71.05 110.959 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -89.6 -176.35 4.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 70.44 110.925 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.98 -22.61 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 63.13 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -99.41 25.75 6.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 72.35 110.82 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 54.35 27.29 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 54.25 110.879 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -101.83 124.2 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 60.3 110.897 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.521 ' H ' HD12 ' A' ' 45' ' ' LEU . 1.1 mp -85.23 114.8 22.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.964 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -134.16 166.34 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.23 110.883 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.7 t -94.48 110.44 22.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.04 110.874 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 142.71 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.54 111.102 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.1 m -116.64 133.91 55.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 54.24 110.874 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.44 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 46.1 t0 -118.17 124.77 48.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 73.31 110.886 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -122.44 113.16 18.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.904 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 60.4 110.849 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.819 0.342 . . . . 75.45 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -123.03 147.92 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.829 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -154.93 141.52 18.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 65.13 110.91 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.564 HG21 ' OE1' ' A' ' 46' ' ' GLN . 6.2 p -104.09 140.1 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 72.45 111.103 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.04 91.72 3.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 73.22 110.927 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.11 -19.56 65.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.021 -0.536 . . . . 64.25 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.64 -19.6 58.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 71.45 110.888 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -76.52 156.11 83.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.695 0.76 . . . . 75.24 110.914 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 127.98 15.29 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 64.25 112.322 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.5 t -68.28 -20.51 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 52.45 111.066 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m -69.54 -29.62 67.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 53.12 110.921 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.68 -23.71 59.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 72.01 110.9 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.8 t -51.38 -35.12 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 64.34 110.914 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.17 -31.58 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 73.41 110.894 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -81.01 135.16 35.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.918 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.68 -29.21 16.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.151 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -90.18 -15.99 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -80.33 -42.85 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 71.03 110.964 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.51 110.923 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -54.98 -29.55 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 52.35 110.858 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -68.7 -50.0 54.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 75.54 110.886 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.9 -28.13 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 75.12 110.901 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.7 m -78.53 -52.6 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 61.41 110.837 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -68.53 -12.2 60.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 51.43 110.948 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 29' ' ' ASP . 4.2 tt -79.18 -62.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 62.33 110.866 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.561 ' N ' HD23 ' A' ' 28' ' ' LEU . 5.4 m-20 -93.91 -50.96 5.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.843 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -10.23 58.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 72.33 110.92 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 t60 52.25 24.9 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 73.02 110.928 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.65 -163.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.01 111.072 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -134.43 -40.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 55.34 110.891 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.2 m -124.38 39.28 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 64.11 110.892 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.58 122.13 10.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 55.51 112.529 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -152.69 165.01 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 74.45 110.898 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.57 153.12 20.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 52.21 110.882 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -165.88 161.78 17.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.879 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.701 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 23.0 m-85 -60.79 136.02 57.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 73.25 110.894 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -101.21 -175.98 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 73.45 110.901 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -64.58 -20.58 66.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 45.54 110.897 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -93.91 19.12 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 72.44 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? 55.98 25.18 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.872 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -108.97 159.29 16.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.847 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.701 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 7.5 mt -101.56 117.03 34.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.958 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.564 ' OE1' HG21 ' A' ' 7' ' ' VAL . 63.0 mt-30 -132.81 159.93 38.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 62.23 110.864 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.9 t -93.22 109.84 21.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 63.44 110.875 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.404 HG13 HG23 ' A' ' 7' ' ' VAL . 4.3 mp -99.01 146.41 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 72.43 111.137 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.3 m -118.72 131.11 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 51.35 110.945 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.56 116.89 29.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 64.14 110.858 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -113.39 113.11 24.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 70.14 110.898 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 35.3 110.895 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 tttt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.819 0.342 . . . . 73.51 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.66 162.13 22.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.836 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -164.98 148.84 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.968 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.448 HG21 ' OE1' ' A' ' 46' ' ' GLN . 7.5 p -104.34 136.29 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 63.42 111.137 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.72 88.07 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 63.11 110.948 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.73 -19.38 64.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 60.02 110.872 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.22 -19.28 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.12 110.851 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -81.77 154.47 70.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.631 0.729 . . . . 72.11 110.907 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 125.69 12.45 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.749 2.3 . . . . 73.23 112.335 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.32 -15.95 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 72.1 111.113 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 m -61.97 -29.47 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.873 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -78.37 -18.82 54.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 53.14 110.895 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.2 t -51.09 -36.96 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.891 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -57.6 -32.59 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.863 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -81.61 134.38 35.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.922 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.09 -29.21 16.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 31.24 111.096 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -90.11 -17.52 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 75.35 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -77.35 -44.21 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.03 110.885 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -63.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 52.41 110.883 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -54.22 -28.22 39.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 55.12 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -69.03 -49.52 56.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.913 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -69.24 -30.81 69.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.835 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.6 m -76.52 -53.56 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 75.33 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -67.18 -11.38 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.892 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 29' ' ' ASP . 1.6 tt -78.99 -62.29 1.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 60.34 110.927 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.569 ' N ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -94.51 -51.89 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.54 110.916 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -70.92 -10.08 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 71.31 110.897 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.0 m80 50.51 28.62 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 74.35 110.847 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.82 -165.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 71.32 111.097 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -131.94 -40.37 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -125.63 38.83 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.34 110.858 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.44 116.39 4.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.668 -0.777 . . . . 62.03 112.504 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -152.16 165.8 33.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 70.32 110.942 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.5 p -103.67 152.71 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 61.4 110.888 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -165.56 155.0 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 64.55 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -58.88 144.07 45.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 71.34 110.967 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.95 -175.96 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 62.3 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.23 -19.95 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.885 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -94.6 22.31 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 70.35 110.915 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 52.65 28.91 6.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.843 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -112.02 152.95 27.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.35 110.96 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.11 126.64 46.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.93 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' OE1' HG21 ' A' ' 7' ' ' VAL . 47.7 mt-30 -144.58 157.84 44.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.896 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.0 t -93.15 110.53 22.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 64.11 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.406 HG13 HG23 ' A' ' 7' ' ' VAL . 3.9 mp -101.59 146.99 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.11 111.103 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.4 m -118.59 143.96 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 71.45 110.876 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -122.35 116.12 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 70.33 110.849 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -109.83 112.93 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.957 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 95.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 74.33 110.875 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.726 0.298 . . . . 65.14 110.917 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -126.92 161.77 27.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 73.33 110.921 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -165.69 140.06 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 71.13 110.88 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.475 HG21 HE21 ' A' ' 46' ' ' GLN . 6.7 p -93.9 140.05 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.168 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -112.09 86.13 2.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 63.2 110.927 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.56 -16.64 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 74.15 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.46 -25.31 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.914 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.64 147.45 71.3 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.698 0.761 . . . . 73.33 110.925 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.57 42.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.622 2.215 . . . . 75.21 112.369 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -68.78 -15.91 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.14 111.12 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 m -69.06 -29.83 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.837 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -23.15 57.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 61.44 110.882 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.2 t -51.49 -34.31 35.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 51.53 110.811 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -58.93 -34.78 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.975 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.51 133.54 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.931 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.88 -30.46 16.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.168 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -88.26 -14.66 37.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.862 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -81.14 -43.03 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.912 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.44 -63.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 61.43 110.905 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -28.23 40.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 70.54 110.858 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -69.83 -49.08 56.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.931 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.11 -28.52 65.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 72.54 110.813 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.9 m -79.13 -51.2 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.12 110.892 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -12.06 61.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.883 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 29' ' ' ASP . 3.3 tt -78.81 -62.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 73.41 110.883 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.571 ' N ' HD23 ' A' ' 28' ' ' LEU . 4.7 m-20 -94.39 -50.85 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 50.51 110.873 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -10.53 59.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 65.1 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 50.71 27.4 2.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 71.1 110.862 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.29 -164.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 53.4 111.148 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -134.2 -40.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.792 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -125.29 39.54 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.898 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.34 126.21 18.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.67 -0.776 . . . . 53.42 112.487 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -158.07 166.21 33.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 53.51 110.882 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.1 p -103.74 153.47 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 71.33 110.826 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -167.16 157.68 11.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.23 110.87 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -66.37 135.05 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.01 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -96.39 -176.17 3.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 74.4 110.843 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.58 -23.1 64.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.848 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -94.73 22.33 6.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.926 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 52.07 29.44 6.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 75.15 110.832 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -105.95 135.69 46.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -89.68 114.66 26.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 61.24 110.933 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.475 HE21 HG21 ' A' ' 7' ' ' VAL . 6.9 mt-30 -137.25 162.8 32.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -93.78 110.51 22.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.896 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.24 143.93 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.52 111.111 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 9.1 m -109.3 142.93 39.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 65.35 110.933 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 18.1 m-20 -123.89 115.7 21.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.795 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -118.96 113.27 20.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.937 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.813 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.702 0.287 . . . . 70.02 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -146.05 159.68 42.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.82 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -163.83 139.21 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.951 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -99.87 139.92 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 53.45 111.182 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.13 93.97 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 63.31 110.894 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.65 -31.15 66.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 44.15 110.855 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -61.41 -25.35 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.887 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.04 137.64 97.18 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.674 0.75 . . . . 62.14 110.957 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 135.59 30.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.23 . . . . 74.52 112.396 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.13 -19.37 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.6 m -68.66 -34.38 75.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 44.43 110.836 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.1 -26.04 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 64.3 110.887 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.8 t -52.25 -32.11 35.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 64.5 110.888 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -56.03 -26.4 48.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.21 110.896 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -103.18 129.75 50.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.854 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.24 -49.97 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 32.2 111.126 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -58.09 -41.13 82.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 64.5 110.923 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -56.27 -47.14 79.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 72.11 110.835 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -63.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 53.51 110.841 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -29.44 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.877 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.18 -48.91 74.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 74.45 110.934 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.85 -27.59 49.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.87 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -74.25 -37.48 63.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 74.01 110.867 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.88 -10.99 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.23 110.847 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 29' ' ' ASP . 8.6 tt -79.99 -61.98 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 62.41 110.914 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.455 ' N ' HD23 ' A' ' 28' ' ' LEU . 5.4 m-20 -94.02 -51.89 4.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.887 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -11.16 60.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 62.3 110.929 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.5 t60 51.26 28.27 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.844 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.07 -165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 70.13 111.083 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -133.12 -39.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.34 110.862 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -129.04 39.49 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.84 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.78 124.52 12.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.733 -0.746 . . . . 34.31 112.406 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -155.23 166.22 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.957 0.408 . . . . 64.33 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.2 p -107.61 145.65 33.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 73.13 110.856 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.719 ' CE1' HD13 ' A' ' 48' ' ' ILE . 33.4 p90 -167.04 162.75 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 63.41 110.903 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -58.76 138.08 57.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.892 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.14 -169.83 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 75.21 110.91 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.68 -20.72 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.884 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -93.83 19.42 8.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 55.42 110.927 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? 56.26 24.86 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 63.11 110.887 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.95 145.02 37.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.52 125.21 37.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.924 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -148.17 166.17 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.13 110.866 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.2 t -94.28 110.67 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 63.44 110.791 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.719 HD13 ' CE1' ' A' ' 38' ' ' PHE . 4.3 mp -103.77 140.87 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 65.53 111.132 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.2 m -111.41 135.26 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 54.14 110.902 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 8.5 m-20 -120.32 119.74 34.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.846 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -111.61 122.85 48.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.903 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 63.33 110.885 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.733 0.301 . . . . 75.12 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.86 146.67 30.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -153.2 138.37 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.918 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 p -96.2 140.12 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 74.04 111.132 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.34 85.01 2.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 72.15 110.944 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.1 -20.52 58.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 75.32 110.937 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -57.91 -22.83 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.21 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.0 155.03 88.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.654 0.74 . . . . 71.4 110.915 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 121.68 8.38 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.645 2.23 . . . . 71.13 112.325 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.01 -15.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.11 111.143 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -69.68 -29.25 66.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 62.41 110.876 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -83.85 -12.15 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 53.35 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.4 t -51.8 -38.61 56.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 54.14 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -33.23 64.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 50.35 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.79 132.27 41.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -27.63 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 54.31 111.072 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -90.4 -15.42 31.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 72.23 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -82.22 -42.3 19.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 65.5 110.93 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -63.21 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 54.21 110.895 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -28.87 58.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.874 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -69.39 -42.06 75.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.949 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -77.99 -28.51 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.837 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.6 m -78.75 -51.51 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 72.15 110.886 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -68.7 -12.17 61.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.871 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -79.09 -62.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 65.14 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.09 -50.99 5.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 44.4 110.884 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -10.09 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 65.34 110.955 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.1 m80 51.21 26.59 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 70.45 110.832 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.46 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.117 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.96 -38.73 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 71.1 110.858 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 m -127.43 39.91 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.816 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.41 122.88 7.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 73.44 112.508 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -156.92 162.62 39.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.941 0.4 . . . . 33.21 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 p -103.35 151.12 23.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 42.33 110.827 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -161.24 154.1 20.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 70.35 110.902 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -58.95 134.01 56.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 72.05 110.999 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.42 -177.86 4.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.15 -0.477 . . . . 60.45 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.17 -19.15 64.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -101.19 24.68 9.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.917 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 57.41 23.49 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -103.19 127.45 50.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 71.33 110.921 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 mt -87.84 116.73 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -135.79 162.16 33.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.898 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.23 110.54 22.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 55.3 110.873 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -97.24 145.72 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 71.42 111.138 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 9.0 m -118.56 131.07 56.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.867 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.47 117.08 30.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.855 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -107.08 122.48 46.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 61.41 110.843 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 52.12 110.881 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.778 0.323 . . . . 64.33 110.901 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.43 155.93 47.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.92 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -162.21 141.64 9.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -90.51 139.13 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.069 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -113.37 85.37 2.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.938 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -60.84 -20.02 60.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 75.02 110.882 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.27 -29.7 66.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.887 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.19 142.34 75.35 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.7 0.762 . . . . 72.45 110.946 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 141.93 46.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.745 2.297 . . . . 75.55 112.3 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.24 -15.72 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 75.05 111.152 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -70.04 -33.43 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 65.34 110.845 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.81 -20.28 59.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 65.33 110.902 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 t -51.53 -35.3 40.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 64.14 110.89 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -57.79 -33.29 68.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 62.14 110.947 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.24 133.13 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 51.13 110.936 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.16 -29.36 16.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 51.52 111.077 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -89.21 -17.61 28.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 73.41 110.838 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -77.43 -44.02 30.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 60.41 110.865 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -63.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.24 110.94 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -53.65 -29.52 38.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.858 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.71 -50.08 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 72.54 110.918 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.29 -36.01 80.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 64.44 110.873 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.2 m -71.7 -53.78 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.04 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -67.03 -10.97 55.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 72.43 110.953 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 29' ' ' ASP . 1.1 tt -78.93 -62.32 1.74 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.894 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.519 ' HB2' HD23 ' A' ' 28' ' ' LEU . 18.5 t0 -94.76 -52.07 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -9.95 58.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 53.12 110.905 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 50.08 28.97 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.864 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -60.82 -165.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 61.03 111.125 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.62 -39.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -125.38 39.15 4.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.35 110.854 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.73 118.56 6.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 63.05 112.543 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -153.41 167.71 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 65.42 110.923 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.8 p -103.42 152.43 21.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 65.2 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.84 156.48 22.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.917 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -62.08 137.36 58.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.923 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.67 -177.82 4.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 74.01 110.893 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.59 -20.15 65.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.443 . . . . 74.51 110.871 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -100.9 25.18 8.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 72.52 110.913 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 56.95 24.12 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 71.22 110.822 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -102.6 128.6 49.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.825 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.39 116.41 27.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.939 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -135.28 164.37 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 63.12 110.915 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.0 t -94.14 110.43 22.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.03 110.84 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.54 144.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 71.53 111.104 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.2 m -110.98 147.76 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.874 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 17.7 t70 -130.88 121.78 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.884 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -122.53 114.91 21.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.152 -0.476 . . . . 75.45 110.937 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 73.11 110.93 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.3 tttm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.734 0.302 . . . . 74.53 110.948 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -123.07 162.06 23.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -167.5 146.38 4.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 73.25 110.922 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -109.56 139.81 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 71.33 111.133 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.85 125.6 42.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.54 -16.4 39.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 74.24 110.855 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -92.17 15.12 14.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 51.51 110.902 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -94.76 135.03 24.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.704 0.764 . . . . 73.03 110.898 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 122.33 8.99 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.653 2.236 . . . . 74.23 112.347 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.52 -26.03 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 75.43 111.115 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 m -65.76 -47.99 73.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.871 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -76.08 -18.97 58.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.13 110.863 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -31.82 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 72.12 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -53.92 -27.61 31.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.89 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.0 mt -82.43 125.94 31.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.908 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.2 -51.67 16.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 73.41 111.081 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -62.71 -17.14 60.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 65.13 110.829 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -79.94 -42.98 22.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.887 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -63.04 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.11 110.856 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -52.06 -30.52 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 62.42 110.834 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -69.81 -49.6 51.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 64.25 110.927 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.88 -27.98 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 75.31 110.877 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -79.02 -51.79 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -69.68 -10.71 59.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 72.42 110.89 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -79.35 -62.33 1.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 75.44 110.899 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -94.48 -51.78 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.923 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -71.24 -9.98 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 64.15 110.854 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 50.13 29.11 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 74.03 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.0 -164.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 75.4 111.139 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -133.1 -39.93 0.93 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.826 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 t -126.83 38.69 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 55.12 110.858 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.67 123.56 23.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 74.41 112.521 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -148.05 169.49 19.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 75.43 110.89 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.7 m -103.7 145.76 29.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.879 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.95 174.44 7.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 72.04 110.917 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.575 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 70.8 m-85 -71.62 142.98 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 71.11 110.951 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.06 -176.35 3.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.1 -23.93 62.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.837 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -94.89 22.05 6.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.45 110.927 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 51.55 30.78 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.818 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.73 146.56 36.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.934 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 3.1 mt -86.68 114.64 23.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.53 110.91 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -136.86 175.16 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.915 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 t -101.98 110.63 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 65.13 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.69 128.84 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.01 111.158 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.0 m -103.32 131.88 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 52.23 110.85 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.439 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 47.7 t0 -114.8 124.17 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 65.43 110.85 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -125.5 112.91 16.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.954 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 55.41 110.871 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.799 0.333 . . . . 71.32 110.918 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.05 146.47 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.872 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -156.93 143.53 18.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.4 110.897 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 48' ' ' ILE . 7.6 p -101.49 140.05 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.12 111.148 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -122.8 89.68 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 60.23 110.895 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.79 -21.67 56.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 70.24 110.899 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.08 -24.32 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 63.53 110.897 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -72.17 153.7 92.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.645 0.736 . . . . 64.04 110.964 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.3 6.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.594 2.196 . . . . 53.44 112.393 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -68.13 -15.91 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.118 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -29.58 66.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 64.11 110.953 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -83.88 -11.46 56.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 75.05 110.935 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.7 t -50.68 -39.94 52.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.854 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.79 -35.05 63.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.891 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.34 134.46 44.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 72.42 110.899 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -28.94 16.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 75.32 111.05 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -90.31 -15.51 31.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 65.32 110.887 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -80.49 -43.44 20.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 52.13 110.878 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -63.14 1.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.898 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -52.35 -30.73 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.904 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -68.88 -50.33 50.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 65.43 110.949 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.65 -29.3 69.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.843 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.3 m -78.4 -54.07 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -67.19 -10.99 56.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.875 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 tp -79.29 -62.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 73.22 110.872 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -94.45 -52.01 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.21 110.873 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -70.96 -9.21 57.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 65.02 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 50.77 28.36 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.442 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -60.62 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 75.23 111.13 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -132.32 -40.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 61.01 110.858 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t -127.85 39.64 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 34.35 110.853 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.15 118.95 5.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.655 -0.783 . . . . 74.15 112.543 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -152.47 163.81 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 63.1 110.931 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.6 p -103.41 153.02 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 74.04 110.883 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -166.55 156.66 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -58.95 141.85 52.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 70.35 110.91 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.0 -176.74 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 73.23 110.886 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.85 -20.04 66.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 35.43 110.84 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -94.21 20.95 7.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.13 110.88 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 53.74 27.47 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 65.21 110.9 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -110.05 155.53 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 64.35 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.15 121.51 42.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 70.4 110.934 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -140.36 159.67 41.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 65.25 110.927 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.8 t -93.34 110.58 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 71.51 110.876 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.414 HG13 HG23 ' A' ' 7' ' ' VAL . 4.0 mp -101.31 146.87 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 61.33 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.5 m -118.63 152.46 36.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.861 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.98 128.75 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 74.12 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -121.27 121.1 36.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.936 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.2 m . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 70.32 110.854 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 mttt . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.87 0.367 . . . . 72.31 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -146.58 138.71 24.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 73.55 110.846 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -154.61 146.71 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.938 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -105.22 136.89 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 52.2 111.087 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -99.55 87.99 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 63.5 110.866 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.35 -32.42 62.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.843 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.54 -25.61 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 54.21 110.859 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.32 137.73 89.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.671 0.748 . . . . 74.51 110.917 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 138.43 37.96 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.71 2.274 . . . . 64.3 112.338 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.21 -15.85 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.118 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 m -69.19 -36.42 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 63.42 110.799 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -66.97 -26.7 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.867 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.5 t -52.38 -31.39 33.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.902 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.65 -27.25 58.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 65.04 110.85 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.9 135.36 43.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 73.01 110.89 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.04 -31.6 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 52.42 111.128 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -78.46 -20.42 50.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.15 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.14 -42.05 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 65.13 110.9 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -62.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.944 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -54.81 -30.72 57.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 53.43 110.907 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -66.68 -50.38 63.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 75.21 110.93 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -30.9 69.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 65.32 110.834 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.1 m -73.95 -53.14 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.915 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -67.33 -11.48 57.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 53.14 110.919 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 29' ' ' ASP . 2.1 tm? -79.19 -62.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 54.43 110.904 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' N ' HD13 ' A' ' 28' ' ' LEU . 5.9 m-20 -94.47 -51.91 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.9 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -70.85 -9.37 57.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 63.25 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 m80 50.98 28.24 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.912 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.34 -166.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 75.02 111.127 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.56 -40.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 62.21 110.868 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -131.51 39.2 3.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 54.35 110.847 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.22 121.82 10.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.756 . . . . 71.13 112.485 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -152.74 167.17 29.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.86 0.362 . . . . 71.22 110.909 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.4 p -103.83 150.1 24.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 70.5 110.933 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -162.7 164.39 26.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.866 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -65.44 139.01 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.4 110.918 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.59 -175.24 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 70.34 110.886 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.04 -22.73 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.879 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -102.23 26.92 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.12 110.866 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 56.47 26.85 11.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.848 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -102.19 126.34 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 43.14 110.872 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.53 121.31 27.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.893 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -142.68 163.63 32.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 52.31 110.886 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.1 t -94.6 111.11 22.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -105.09 147.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 65.43 111.086 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.8 m -117.63 137.05 52.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 62.24 110.823 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -113.2 120.94 42.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.906 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -112.32 120.66 42.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.937 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.95 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 tptm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.77 0.319 . . . . 74.12 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -121.59 155.23 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 64.14 110.92 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -163.22 145.41 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.09 132.03 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.13 111.168 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -99.91 82.52 2.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 73.5 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -64.19 -16.63 62.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.33 110.847 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.6 -26.26 67.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 62.1 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.37 152.66 78.83 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 121.711 0.767 . . . . 72.24 110.896 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 137.66 36.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 74.21 112.382 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.2 -25.09 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 64.42 111.129 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 m -56.5 -30.08 62.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 62.34 110.909 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -71.52 -25.68 62.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 73.1 110.933 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.0 t -51.97 -33.05 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.854 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -54.83 -26.05 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.839 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 mt -103.05 130.8 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 71.1 110.879 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.86 -49.96 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.52 111.089 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -58.43 -35.7 72.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.911 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -61.49 -45.69 93.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 55.35 110.941 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -58.16 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 43.52 110.807 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.65 -27.3 69.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.11 110.887 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -64.41 -50.3 68.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.896 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.79 -33.06 62.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.829 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.7 m -68.81 -52.24 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 43.04 110.885 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -65.87 -12.51 54.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.14 110.949 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.2 tp -78.77 -62.4 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.51 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.63 -52.27 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 62.12 110.854 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -10.1 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 70.14 110.941 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 48.45 31.53 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 70.25 110.901 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.76 -161.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 23.44 111.084 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 -36.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.834 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t -133.54 41.53 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 62.43 110.798 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.76 124.12 9.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 34.22 112.494 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -153.55 171.38 18.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 73.35 110.869 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -114.8 145.84 41.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 42.55 110.865 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.819 ' CE1' HD13 ' A' ' 48' ' ' ILE . 38.5 p90 -168.22 167.1 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 74.53 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 5.0 m-85 -58.68 121.26 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.954 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -87.74 -176.26 5.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 75.23 110.784 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -58.74 -23.22 59.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.905 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.3 15.43 13.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.881 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 57.2 23.88 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.87 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -109.91 135.75 50.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 72.12 110.873 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 7.5 mt -77.89 114.95 17.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 70.34 110.97 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -139.6 165.01 28.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.4 110.917 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 t -92.86 111.26 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.973 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.819 HD13 ' CE1' ' A' ' 38' ' ' PHE . 3.8 mp -108.31 145.71 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 60.53 111.169 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.0 m -112.45 144.93 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.881 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.93 112.49 18.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 65.2 110.92 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -116.03 112.75 22.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.928 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 87.6 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.869 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.73 0.3 . . . . 72.11 110.908 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -146.07 154.62 42.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.842 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -159.32 139.43 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 60.43 110.881 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.6 p -104.68 130.93 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.14 111.114 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.54 89.19 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 72.02 110.968 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.59 -20.26 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 72.43 110.915 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -64.63 -15.41 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.823 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.92 158.35 70.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 71.3 111.002 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 128.31 15.88 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.765 2.31 . . . . 65.21 112.366 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -68.24 -25.41 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 70.15 111.098 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.0 m -57.62 -29.72 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.851 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -70.48 -27.63 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 61.43 110.898 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.05 -30.84 38.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 70.21 110.928 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -57.58 -23.9 53.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 mt -106.18 138.39 42.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.11 110.886 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.28 -39.7 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.51 111.066 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -72.06 -34.8 69.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.1 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -61.11 -46.1 91.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 45.54 110.937 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -59.97 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.11 110.88 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -61.22 -30.88 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 61.4 110.923 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.62 -49.49 77.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 64.45 110.956 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -78.68 -28.15 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 70.53 110.818 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.5 m -72.71 -32.63 65.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 71.11 110.866 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -87.3 -10.02 53.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.932 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.03 -61.78 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 64.1 110.911 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.29 -51.94 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 63.12 110.817 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -71.62 -11.85 61.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.943 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.8 m80 50.1 31.5 5.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 64.51 110.839 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.71 -162.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 61.32 111.19 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -134.15 -37.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 71.33 110.919 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -133.44 41.04 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 62.42 110.832 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.22 119.43 5.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.73 . . . . 62.22 112.432 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -149.89 164.49 35.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 73.1 110.899 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -103.49 151.56 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 53.33 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -164.52 172.85 12.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.916 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.489 ' CE2' HD21 ' A' ' 45' ' ' LEU . 37.2 m-85 -69.31 140.89 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.32 110.94 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.78 169.95 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 72.44 110.867 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.15 -22.12 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.94 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -91.01 15.03 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 61.33 110.924 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 58.81 40.93 22.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 54.41 110.854 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -128.56 148.45 50.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 52.03 110.892 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD21 ' CE2' ' A' ' 39' ' ' TYR . 8.5 mt -90.82 124.14 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 53.45 110.925 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -143.48 162.05 36.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.891 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.8 t -94.41 110.71 22.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.839 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.62 143.49 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.123 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.4 m -117.88 129.9 55.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.16 120.92 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.22 110.9 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -113.56 120.35 40.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.5 110.908 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 63.14 110.916 179.937 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.841 0.353 . . . . 44.33 110.877 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -125.19 162.1 25.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.906 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -163.63 152.73 14.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 72.4 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -102.99 139.88 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 72.3 111.166 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.76 125.91 42.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.942 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.12 -16.79 28.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 60.42 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -92.0 15.1 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 53.23 110.959 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -98.91 134.84 21.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.652 0.739 . . . . 75.32 110.961 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.13 14.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.62 2.214 . . . . 75.15 112.375 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 45' ' ' LEU . 57.4 t -66.96 -29.46 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.112 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -65.15 -50.27 66.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 70.42 110.855 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -76.32 -8.77 57.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.853 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -30.5 71.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 72.03 110.864 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -56.39 -25.4 49.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 75.41 110.874 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.65 139.81 47.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 42.02 110.836 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.2 -29.89 16.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 65.42 111.133 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -90.12 -14.1 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 62.54 110.944 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -81.92 -42.23 19.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.911 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -63.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 53.4 110.872 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -52.2 -31.51 32.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 75.1 110.863 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -69.38 -50.16 48.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 73.13 110.902 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -68.17 -28.29 67.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 74.4 110.837 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 m -78.85 -52.73 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 41.23 110.874 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -68.39 -11.64 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 62.33 110.855 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 29' ' ' ASP . 4.1 tt -79.34 -62.24 1.75 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 50.13 110.875 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.558 ' N ' HD23 ' A' ' 28' ' ' LEU . 6.1 m-20 -94.21 -51.52 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 70.14 110.865 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -70.78 -9.44 57.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 72.03 110.925 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 51.16 27.56 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 72.42 110.796 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.15 -163.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 61.32 111.141 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -134.32 -41.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 74.31 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 t -128.22 38.9 3.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 54.51 110.835 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.38 123.89 23.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 54.03 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -145.46 170.82 15.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 70.3 110.818 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.1 m -103.94 145.63 29.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 64.41 110.88 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -162.22 162.77 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 61.51 110.863 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -76.75 147.9 37.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 71.22 110.932 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -104.48 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 72.35 110.828 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -63.42 -20.47 65.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 61.15 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -94.69 23.01 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.851 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 51.79 30.25 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 73.31 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -110.05 136.34 49.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB2' HG13 ' A' ' 13' ' ' VAL . 9.0 mt -88.13 125.15 34.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.935 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -142.86 175.51 9.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.9 t -105.02 110.66 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.889 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.57 134.74 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 75.35 111.193 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 12.1 m -106.44 142.67 35.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.903 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.54 117.64 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.789 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -117.0 113.18 21.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.912 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.41 110.863 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.894 0.378 . . . . 74.25 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.2 m -130.56 172.93 11.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.33 110.918 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 154.84 50.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 73.44 110.906 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -146.59 155.95 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.905 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -158.99 143.96 15.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 54.43 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -106.98 140.33 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 72.04 111.073 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -122.64 86.88 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.915 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.2 -20.87 57.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.078 -0.51 . . . . 74.21 110.884 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -57.01 -26.49 60.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.846 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -73.31 156.22 89.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.638 0.733 . . . . 60.41 110.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 130.52 19.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.703 2.269 . . . . 61.01 112.356 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.18 -30.06 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 71.33 111.159 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 p -56.06 -29.75 60.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.813 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -72.94 -24.01 60.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 70.11 110.854 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 53.9 t -51.69 -34.93 40.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 64.41 110.89 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -57.96 -31.0 66.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.898 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -83.84 133.04 34.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 64.4 110.892 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.64 -28.64 17.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 75.43 111.044 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -90.38 -13.7 34.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -82.52 -39.97 21.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.25 110.97 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -63.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 30.14 110.878 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -57.93 -27.8 63.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.33 110.923 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -67.41 -45.51 75.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 71.21 110.944 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.07 -27.88 48.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 73.15 110.855 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.9 m -76.34 -55.42 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.923 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 mtpp -65.92 -11.63 48.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 65.43 110.951 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 29' ' ' ASP . 1.4 tt -79.11 -61.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 74.2 110.935 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.554 ' N ' HD23 ' A' ' 28' ' ' LEU . 3.5 m-20 -94.32 -52.05 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.856 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.58 -10.02 58.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 71.4 110.915 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 51.94 25.95 3.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 71.51 110.895 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.11 -165.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 64.34 111.088 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -132.18 -40.06 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 73.32 110.887 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 t -126.51 39.73 3.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 61.01 110.884 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.69 116.71 3.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 42.34 112.487 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -150.47 162.81 39.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 71.31 110.817 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -103.42 152.05 22.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 64.32 110.887 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -158.7 152.69 23.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 75.42 110.85 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -58.62 136.5 57.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 75.44 110.957 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.55 -171.07 2.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.469 . . . . 62.32 110.93 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -75.12 -18.21 60.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 70.04 110.927 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -103.97 26.8 8.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 63.55 110.924 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? 57.52 23.4 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.91 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -102.03 128.48 48.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 61.55 110.931 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -89.32 116.18 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 55.44 110.88 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -131.61 158.39 41.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 65.41 110.87 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 t -92.9 109.59 21.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 44.12 110.863 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -97.59 136.72 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.23 111.132 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.7 m -111.48 129.13 56.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 75.02 110.906 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 9.5 t0 -114.87 120.73 40.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 74.42 110.845 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -108.05 118.7 37.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.898 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.0 t -131.23 137.75 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 65.34 110.871 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -137.94 120.89 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.937 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.8 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.914 -179.823 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.9 t70 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.845 0.355 . . . . 61.42 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 m -122.16 173.05 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 72.51 110.868 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -136.7 158.48 44.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.35 110.857 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -146.27 146.71 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.888 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -150.16 137.46 19.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.871 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.412 HG23 HG13 ' A' ' 48' ' ' ILE . 5.8 p -100.76 140.03 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 71.04 111.132 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.22 91.56 3.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.149 -0.478 . . . . 72.21 110.864 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -68.64 -21.87 64.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.31 110.913 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -67.2 -17.99 65.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 73.42 110.931 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -74.8 159.77 82.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 64.14 110.973 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 126.09 12.93 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.704 2.269 . . . . 54.25 112.354 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.07 -24.17 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 52.43 111.107 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -62.58 -30.32 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.849 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -68.54 -29.8 68.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.896 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.3 t -53.06 -30.11 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.859 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -58.15 -23.84 56.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 64.01 110.944 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -107.63 136.04 48.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.89 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.43 -29.09 18.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 42.33 111.116 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 m-20 -81.12 -18.22 47.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 64.43 110.898 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -82.46 -40.47 21.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.862 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.05 -61.69 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 72.43 110.89 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -30.17 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 75.42 110.865 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.98 -43.51 74.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.897 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -77.08 -27.82 54.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.883 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.3 m -78.77 -51.42 9.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.899 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -68.48 -12.39 61.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 55.55 110.904 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 tp -79.45 -62.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 65.45 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.79 -51.01 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 62.14 110.877 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -9.92 57.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 60.04 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 52.31 25.24 3.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 71.52 110.872 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.16 -165.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 74.44 111.12 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -132.57 -43.31 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 71.25 110.888 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.2 m -124.17 38.96 4.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 73.13 110.867 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.33 118.4 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 45.51 112.46 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -151.45 166.45 31.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 73.11 110.898 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.57 151.84 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.15 110.847 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -164.2 161.38 22.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 73.21 110.87 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -66.82 140.94 57.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 75.53 110.925 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -103.34 -176.41 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.507 . . . . 71.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -64.31 -20.73 66.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 70.42 110.923 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -94.87 22.92 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 73.23 110.903 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 51.86 29.78 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 75.32 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -110.12 151.4 27.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 72.11 110.862 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 mt -101.29 120.8 40.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 44.43 110.883 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -139.14 161.58 37.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.43 110.882 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 t -94.48 110.43 22.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.896 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.412 HG13 HG23 ' A' ' 7' ' ' VAL . 4.2 mp -100.33 144.51 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 74.22 111.175 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.5 m -118.2 129.82 55.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 64.5 110.897 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.55 109.03 20.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.35 110.859 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -102.02 126.52 48.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.913 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.8 t -140.22 147.69 40.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 54.34 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -103.93 104.92 14.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.881 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.2 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 64.2 110.932 -179.84 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 t0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.85 0.357 . . . . 74.22 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 m -136.94 173.18 11.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 64.33 110.891 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -121.23 149.14 43.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 73.11 110.952 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.2 144.28 29.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 51.35 110.889 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -158.31 152.14 23.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 73.22 110.94 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.92 140.13 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 71.1 111.098 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.66 90.97 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.0 110.833 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.09 -13.39 62.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.901 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -65.91 -19.3 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 75.01 110.89 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.99 154.95 52.7 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.68 0.752 . . . . 75.55 110.934 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 138.09 36.92 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.696 2.264 . . . . 74.12 112.354 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.67 -29.48 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 51.41 111.15 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 m -54.59 -28.77 48.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.838 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -29.96 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 65.32 110.901 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.7 t -52.83 -30.44 33.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 64.53 110.938 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -57.89 -23.52 53.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 74.45 110.834 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -107.8 135.13 49.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 73.15 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.94 -33.53 17.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 41.43 111.084 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -76.12 -20.54 57.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 75.14 110.934 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -79.46 -41.34 27.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 61.42 110.951 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -60.85 -63.04 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 52.11 110.868 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.95 -28.52 57.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.877 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -67.96 -49.33 62.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 71.24 110.943 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.08 -28.64 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 61.44 110.808 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.7 m -75.95 -55.38 5.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 61.21 110.879 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -66.54 -11.72 54.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 65.3 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.7 tp -79.29 -61.91 1.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 74.11 110.95 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.17 -51.81 4.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 73.01 110.872 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -70.58 -9.84 57.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.927 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 51.87 26.36 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 71.32 110.864 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -60.65 -165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 62.02 111.092 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 ttp180 -131.61 -42.05 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 72.42 110.857 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.2 t -126.3 38.9 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.803 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.92 117.39 5.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 54.3 112.491 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -151.09 166.83 29.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 72.55 110.927 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -103.43 152.39 21.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 64.15 110.915 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -163.54 154.38 16.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.843 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -59.58 143.9 49.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 61.21 110.882 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -101.41 -174.19 2.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 73.53 110.932 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.28 -21.3 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.854 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -98.85 26.21 5.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 53.25 110.885 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 55.15 26.04 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 70.1 110.894 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -105.78 134.5 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 62.4 110.912 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -91.77 126.19 36.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 35.03 110.989 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -144.05 161.16 39.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.909 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.0 t -94.19 110.59 22.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.872 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.49 142.29 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 53.23 111.112 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.3 m -117.37 132.13 56.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 74.22 110.855 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.455 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 21.8 t0 -118.89 122.79 43.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 42.25 110.875 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -113.99 121.66 44.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 54.03 110.935 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.3 m -102.9 175.56 5.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 62.51 110.853 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -107.3 104.7 14.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.52 110.854 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.5 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 74.35 110.981 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.807 0.337 . . . . 72.5 110.812 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.8 m -128.44 173.84 9.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 65.42 110.883 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -129.03 157.58 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 63.45 110.917 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.49 144.59 29.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.909 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -149.99 147.53 27.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 65.4 110.817 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -95.73 138.88 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.32 111.128 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.91 73.89 1.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.883 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -68.6 -12.32 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 65.34 110.809 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -83.02 -19.72 36.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 73.03 110.873 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.79 156.86 61.16 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.683 0.754 . . . . 62.01 110.956 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 127.7 14.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.626 2.217 . . . . 71.44 112.326 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.41 -18.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 72.32 111.055 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.3 t -56.32 -29.38 61.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.841 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -75.53 -22.86 56.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 73.55 110.849 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 t -51.95 -33.49 37.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 74.33 110.903 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -55.27 -26.22 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.24 110.966 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.5 mt -104.17 136.48 43.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 63.15 110.932 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.0 -30.12 16.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 75.05 111.119 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -80.14 -20.91 43.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -79.31 -41.26 28.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.88 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -63.04 1.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 62.33 110.88 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -55.99 -27.98 55.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 70.33 110.922 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -68.26 -48.89 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 64.42 110.954 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.44 -28.09 61.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 71.32 110.829 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -76.89 -52.84 8.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 50.35 110.862 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -68.6 -12.5 61.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 71.43 110.868 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 tp -79.33 -62.26 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 71.34 110.963 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.76 -50.95 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 73.14 110.882 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -9.78 57.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.922 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 52.37 25.21 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 62.55 110.889 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.01 -165.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 71.5 111.107 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -132.98 -43.84 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 75.45 110.908 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 t -123.37 38.71 4.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 55.33 110.923 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.57 114.72 2.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 72.43 112.523 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -148.61 164.07 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 75.35 110.888 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.0 p -103.82 151.18 23.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 40.03 110.876 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -162.41 156.67 21.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 71.01 110.889 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -61.81 138.08 58.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.946 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.34 -178.76 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 54.44 110.89 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -62.72 -22.92 66.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 65.35 110.916 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -100.6 25.95 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 73.21 110.908 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 56.45 26.31 10.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 62.45 110.873 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -102.41 123.77 46.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 74.34 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -81.11 122.49 27.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.92 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -142.07 160.45 40.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 52.11 110.901 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.9 t -93.85 110.61 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 33.11 110.882 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -100.81 139.28 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 63.31 111.147 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 m -113.51 127.55 56.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 71.13 110.875 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 111.56 23.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 64.11 110.823 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -103.43 122.13 44.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.956 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.69 134.44 46.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 62.41 110.833 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -129.86 125.65 36.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.944 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.927 -179.823 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.851 0.358 . . . . 34.42 110.83 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.2 m -121.43 173.16 7.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 73.04 110.878 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 ptpt -143.7 159.22 42.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 71.42 110.878 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.59 162.08 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 71.1 110.821 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.6 ttmt -164.6 150.91 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 62.24 110.895 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -106.42 140.1 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 64.04 111.139 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.45 91.86 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.924 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -62.67 -20.24 64.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.077 -0.51 . . . . 71.32 110.91 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -59.0 -21.48 59.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.826 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -72.84 159.93 84.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.686 0.755 . . . . 52.35 110.924 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 120.79 7.52 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.677 2.251 . . . . 71.22 112.317 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.0 t -68.12 -37.46 78.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 75.53 111.137 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.3 m -62.77 -50.05 72.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.01 110.861 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -73.11 -15.33 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -33.03 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 64.25 110.967 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -53.1 -27.07 18.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 72.24 110.825 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -79.9 129.87 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 74.2 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.23 -26.99 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 73.12 111.112 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -80.55 -22.18 41.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 72.12 110.798 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -82.26 -39.38 23.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 62.22 110.943 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -60.66 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 62.23 110.913 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -30.83 67.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.25 110.952 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.646 ' O ' HD23 ' A' ' 28' ' ' LEU . 51.0 t80 -66.32 -45.54 79.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.992 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -76.9 -33.27 57.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 74.14 110.836 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -68.3 -54.18 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 55.02 110.945 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.2 mtmt -66.55 -11.38 52.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 64.13 110.903 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -78.89 -62.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 72.31 110.883 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -94.78 -51.93 4.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 64.42 110.897 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.83 -10.04 58.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 74.2 110.949 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 50.64 27.93 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.882 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -60.91 -165.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 73.34 111.097 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -37.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.869 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -130.51 38.78 3.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 74.41 110.919 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.17 122.83 19.36 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.76 -0.733 . . . . 73.41 112.435 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -146.31 168.45 21.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.876 0.369 . . . . 75.51 110.876 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 96.5 m -103.78 144.35 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -161.31 167.01 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.864 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -79.52 149.27 31.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 74.11 110.898 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -106.32 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 72.45 110.842 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.05 -20.98 65.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.914 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -94.83 22.69 6.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 60.41 110.914 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? 52.28 29.49 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 73.25 110.881 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -108.46 139.38 43.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.891 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mt -90.95 126.38 36.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.892 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -145.22 175.34 10.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.943 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.8 t -104.15 110.75 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 61.11 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.6 mp -100.01 128.23 52.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 62.25 111.142 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 7.2 m -109.14 135.26 50.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 71.34 110.866 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.81 122.94 47.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.897 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -113.49 113.92 25.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 65.02 110.944 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 t -123.34 138.28 54.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 75.1 110.929 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -92.24 100.96 13.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.862 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.7 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 63.14 110.936 -179.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 72.24 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.4 m -114.72 173.08 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 63.25 110.896 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.6 ttmt -114.08 121.9 45.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.51 110.955 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -127.71 159.28 35.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 73.14 110.898 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.12 146.18 10.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.452 . . . . 63.24 110.868 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.512 HG23 HG13 ' A' ' 48' ' ' ILE . 9.1 p -96.33 133.98 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 61.33 111.152 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.7 90.31 3.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.892 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.31 -16.51 64.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.1 -19.47 61.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.867 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -94.97 153.0 39.96 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.694 0.759 . . . . 73.14 110.96 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 146.84 61.04 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.275 . . . . 74.15 112.311 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 45' ' ' LEU . 39.3 t -68.39 -15.77 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 63.45 111.084 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -57.63 -34.74 69.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.866 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -59.83 -34.9 73.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 72.2 110.83 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.74 -26.48 45.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 74.44 110.908 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -63.47 -21.28 66.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 44.41 110.899 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.8 mt -116.26 136.23 53.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.91 -25.08 22.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 60.25 111.06 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -86.9 -21.82 26.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 74.12 110.822 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -80.1 -40.69 27.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 70.13 110.905 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -62.09 2.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 43.1 110.86 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -57.31 -32.31 66.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.13 110.877 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -62.73 -49.73 73.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.23 111.004 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -73.16 -30.28 63.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.07 -0.513 . . . . 74.23 110.838 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 m -69.52 -42.27 74.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 60.25 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -78.73 -9.54 59.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 72.32 110.893 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.04 -61.87 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.911 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -94.33 -52.28 4.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 61.01 110.803 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -9.86 58.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 71.43 110.916 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.5 m80 51.07 27.93 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 61.41 110.816 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -60.7 -165.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 54.23 111.087 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -131.02 -39.86 1.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 71.43 110.837 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -133.48 39.58 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 63.34 110.87 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.63 128.61 24.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 33.44 112.508 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -150.19 171.78 16.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.926 0.393 . . . . 62.43 110.885 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 p -103.19 157.6 16.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.955 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -167.38 163.71 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 71.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -76.4 138.74 40.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 60.41 110.96 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -99.79 -176.19 3.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.864 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -63.02 -21.74 66.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.905 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -94.86 23.08 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 51.13 110.901 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? 51.61 30.17 6.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.15 110.917 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -109.14 146.66 33.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 70.25 110.809 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.535 ' O ' HG13 ' A' ' 13' ' ' VAL . 16.6 mt -99.99 119.87 38.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 52.2 110.892 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -133.68 167.56 20.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 72.52 110.945 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.6 t -94.46 110.45 22.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 75.21 110.87 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.512 HG13 HG23 ' A' ' 7' ' ' VAL . 3.9 mp -102.84 145.51 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 75.2 111.147 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 10.9 m -118.21 137.04 53.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 65.03 110.903 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.435 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 1.2 m-20 -119.8 125.22 48.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 65.42 110.845 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -116.42 112.81 21.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 75.53 110.916 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 65.9 m -103.26 128.81 50.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 62.14 110.879 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -109.16 106.6 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 73.1 110.851 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.8 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 70.24 110.916 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.868 0.366 . . . . 63.04 110.847 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 m -133.3 172.98 11.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 43.1 110.857 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.65 151.36 50.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 75.25 110.869 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -146.16 158.14 43.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.878 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -158.28 142.72 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.893 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.503 HG23 HG13 ' A' ' 48' ' ' ILE . 7.5 p -104.61 139.59 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.33 111.134 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.2 94.93 5.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 74.25 110.972 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.52 -33.22 75.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -59.11 -24.85 63.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.909 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -71.57 136.43 83.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.683 0.754 . . . . 63.44 110.936 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 134.69 28.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 55.22 112.371 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 45' ' ' LEU . 21.3 t -67.95 -15.86 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 55.35 111.149 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.6 m -57.72 -29.91 65.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 62.1 110.821 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -80.2 -22.65 41.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.15 110.853 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.2 t -53.28 -31.75 45.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 73.3 110.879 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -57.47 -23.28 48.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 75.41 110.95 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.5 mt -107.51 135.07 49.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.54 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.2 -31.31 16.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 34.34 111.067 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -79.01 -17.37 55.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 75.44 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -82.21 -41.25 20.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 55.12 110.895 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.6 t -61.47 -61.73 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 71.24 110.891 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -29.88 63.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 62.43 110.939 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -67.45 -45.74 75.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.3 110.907 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.17 -28.15 57.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 73.45 110.889 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.2 m -76.79 -51.2 11.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.918 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -68.8 -12.21 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.01 110.938 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.5 tp -79.17 -62.18 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 72.22 110.894 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -94.12 -50.98 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 64.03 110.844 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -10.47 59.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 75.43 110.845 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 51.48 26.19 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 63.13 110.901 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.39 -164.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.33 111.065 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -133.4 -40.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 63.13 110.857 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 m -126.21 38.59 4.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 65.12 110.879 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.37 118.84 7.27 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.77 -0.728 . . . . 45.41 112.483 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -150.86 167.79 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.99 0.424 . . . . 72.31 110.857 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 p -103.72 152.47 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.4 110.857 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.07 159.99 11.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.843 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -65.17 140.56 58.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 75.12 110.876 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -102.94 -177.45 3.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.108 -0.496 . . . . 74.43 110.915 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -62.63 -20.96 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.908 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -94.9 22.94 5.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 75.23 110.904 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? 51.6 30.51 6.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.898 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -111.12 149.16 31.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.859 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.504 ' O ' HG22 ' A' ' 13' ' ' VAL . 13.5 mt -100.88 122.5 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 75.22 110.925 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -143.16 165.91 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.946 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.35 110.79 22.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 62.21 110.937 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.503 HG13 HG23 ' A' ' 7' ' ' VAL . 4.1 mp -101.55 137.68 28.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 53.34 111.043 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.5 m -112.15 131.74 55.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.949 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 14.9 t0 -120.33 121.99 39.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.03 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -113.71 113.21 24.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 70.43 110.951 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.0 t -121.51 141.43 51.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 40.13 110.878 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -118.06 108.97 15.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 62.13 110.824 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 58.7 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 75.15 110.834 -179.843 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.89 0.376 . . . . 71.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.0 m -133.64 173.07 11.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.891 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -116.27 118.26 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.897 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.3 148.91 47.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 74.44 110.862 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -156.23 145.72 20.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.885 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -98.23 140.46 18.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.12 111.159 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -112.39 84.03 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 64.11 110.958 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -63.61 -16.81 61.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 54.13 110.89 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.81 -28.34 69.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 74.31 110.845 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.84 148.67 72.82 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 74.11 110.918 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 141.51 45.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.622 2.214 . . . . 61.41 112.346 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 52.7 t -68.36 -18.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.074 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.8 m -64.66 -30.53 71.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 73.22 110.842 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.05 -26.92 63.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 55.23 110.869 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.72 -31.6 38.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 70.31 110.919 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -56.38 -25.25 49.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 65.3 110.919 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.1 mt -103.68 136.64 43.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 72.31 110.975 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.55 -39.61 12.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 72.42 111.074 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -71.9 -19.68 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 32.03 110.893 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -43.4 34.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 33.32 110.89 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -62.64 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.931 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -54.13 -30.65 49.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.904 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -66.88 -50.2 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 75.45 110.96 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.56 -29.77 65.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.506 . . . . 74.24 110.89 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.1 m -74.34 -53.75 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 55.42 110.849 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -66.7 -11.62 55.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.93 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 29' ' ' ASP . 2.2 tm? -79.14 -62.1 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.949 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.485 ' N ' HD13 ' A' ' 28' ' ' LEU . 28.1 t0 -94.39 -52.15 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.03 110.851 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.82 -10.05 58.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 64.44 110.921 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 50.56 27.61 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 73.44 110.894 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.11 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 73.01 111.12 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -132.25 -39.76 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 75.31 110.867 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.5 t -128.89 38.82 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.04 110.852 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.73 120.07 8.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 63.14 112.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -149.45 168.4 23.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 50.41 110.86 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.4 p -103.41 154.17 19.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 54.23 110.889 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -165.05 159.9 18.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 64.43 110.892 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -70.45 132.91 46.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 71.05 110.959 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -89.6 -176.35 4.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.474 . . . . 70.44 110.925 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -63.98 -22.61 67.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 63.13 110.883 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -99.41 25.75 6.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 72.35 110.82 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 54.35 27.29 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 54.25 110.879 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -101.83 124.2 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 60.3 110.897 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.521 ' H ' HD12 ' A' ' 45' ' ' LEU . 1.1 mp -85.23 114.8 22.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.964 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -134.16 166.34 22.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 75.23 110.883 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.7 t -94.48 110.44 22.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.04 110.874 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 142.71 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.54 111.102 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.1 m -116.64 133.91 55.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 54.24 110.874 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.44 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 46.1 t0 -118.17 124.77 48.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 73.31 110.886 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -122.44 113.16 18.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.171 -0.468 . . . . 73.11 110.904 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -118.83 137.11 53.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 60.4 110.849 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -111.31 106.07 14.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 64.32 110.883 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.925 -179.843 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.804 0.335 . . . . 74.12 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -132.33 172.97 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 52.33 110.91 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 120.56 37.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 75.45 110.904 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -123.03 147.92 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.829 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -154.93 141.52 18.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 65.13 110.91 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.564 HG21 ' OE1' ' A' ' 46' ' ' GLN . 6.2 p -104.09 140.1 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 72.45 111.103 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.04 91.72 3.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 73.22 110.927 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -64.11 -19.56 65.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.021 -0.536 . . . . 64.25 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -60.64 -19.6 58.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 71.45 110.888 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -76.52 156.11 83.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.695 0.76 . . . . 75.24 110.914 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 127.98 15.29 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.731 2.288 . . . . 64.25 112.322 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.5 t -68.28 -20.51 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 52.45 111.066 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m -69.54 -29.62 67.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 53.12 110.921 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -73.68 -23.71 59.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 72.01 110.9 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 22.8 t -51.38 -35.12 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 64.34 110.914 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.17 -31.58 65.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 73.41 110.894 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -81.01 135.16 35.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.918 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.68 -29.21 16.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.151 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -90.18 -15.99 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.903 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -80.33 -42.85 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 71.03 110.964 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.51 110.923 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -54.98 -29.55 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 52.35 110.858 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -68.7 -50.0 54.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 75.54 110.886 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -68.9 -28.13 66.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 75.12 110.901 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.7 m -78.53 -52.6 8.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 61.41 110.837 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mtpt -68.53 -12.2 60.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 51.43 110.948 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 29' ' ' ASP . 4.2 tt -79.18 -62.25 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 62.33 110.866 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.561 ' N ' HD23 ' A' ' 28' ' ' LEU . 5.4 m-20 -93.91 -50.96 5.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.843 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -10.23 58.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 72.33 110.92 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.9 t60 52.25 24.9 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 73.02 110.928 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.65 -163.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.01 111.072 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -134.43 -40.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 55.34 110.891 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.2 m -124.38 39.28 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 64.11 110.892 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.58 122.13 10.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 55.51 112.529 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -152.69 165.01 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 74.45 110.898 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -103.57 153.12 20.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 52.21 110.882 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -165.88 161.78 17.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.879 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.701 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 23.0 m-85 -60.79 136.02 57.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 73.25 110.894 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -101.21 -175.98 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 73.45 110.901 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -64.58 -20.58 66.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 45.54 110.897 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -93.91 19.12 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 72.44 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? 55.98 25.18 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.872 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -108.97 159.29 16.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 74.24 110.847 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.701 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 7.5 mt -101.56 117.03 34.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 74.55 110.958 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.564 ' OE1' HG21 ' A' ' 7' ' ' VAL . 63.0 mt-30 -132.81 159.93 38.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 62.23 110.864 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.9 t -93.22 109.84 21.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 63.44 110.875 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.404 HG13 HG23 ' A' ' 7' ' ' VAL . 4.3 mp -99.01 146.41 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 72.43 111.137 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.3 m -118.72 131.11 56.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 51.35 110.945 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.56 116.89 29.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 64.14 110.858 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -113.39 113.11 24.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 70.14 110.898 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 t -122.68 140.88 52.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 35.3 110.895 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -103.34 104.43 14.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.884 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 16.8 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 70.42 110.894 -179.85 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.865 0.364 . . . . 72.11 110.792 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 m -124.57 173.23 8.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 64.55 110.874 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -113.93 117.32 31.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 73.51 110.886 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.66 162.13 22.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.836 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -164.98 148.84 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.968 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.448 HG21 ' OE1' ' A' ' 46' ' ' GLN . 7.5 p -104.34 136.29 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 63.42 111.137 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.72 88.07 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 63.11 110.948 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.73 -19.38 64.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 60.02 110.872 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.22 -19.28 61.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.12 110.851 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -81.77 154.47 70.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.631 0.729 . . . . 72.11 110.907 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 125.69 12.45 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.749 2.3 . . . . 73.23 112.335 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.32 -15.95 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 72.1 111.113 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 m -61.97 -29.47 70.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 74.44 110.873 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -78.37 -18.82 54.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 53.14 110.895 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.2 t -51.09 -36.96 42.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 71.44 110.891 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -57.6 -32.59 67.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 73.33 110.863 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -81.61 134.38 35.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.922 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.09 -29.21 16.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 31.24 111.096 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -90.11 -17.52 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 75.35 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -77.35 -44.21 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 63.03 110.885 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.48 -63.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 52.41 110.883 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -54.22 -28.22 39.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 55.12 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -69.03 -49.52 56.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 75.44 110.913 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -69.24 -30.81 69.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.835 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.6 m -76.52 -53.56 7.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 75.33 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -67.18 -11.38 57.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.43 110.892 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.569 HD23 ' N ' ' A' ' 29' ' ' ASP . 1.6 tt -78.99 -62.29 1.74 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 60.34 110.927 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.569 ' N ' HD23 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -94.51 -51.89 4.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 71.54 110.916 179.844 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -70.92 -10.08 59.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.488 . . . . 71.31 110.897 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 61.0 m80 50.51 28.62 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 74.35 110.847 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.82 -165.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 71.32 111.097 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -131.94 -40.37 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.859 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -125.63 38.83 4.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.34 110.858 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.44 116.39 4.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.668 -0.777 . . . . 62.03 112.504 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -152.16 165.8 33.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 70.32 110.942 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.5 p -103.67 152.71 21.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 61.4 110.888 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -165.56 155.0 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 64.55 110.874 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -58.88 144.07 45.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 71.34 110.967 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.95 -175.96 2.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 62.3 110.873 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -65.23 -19.95 66.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.885 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -94.6 22.31 6.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 70.35 110.915 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 52.65 28.91 6.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.843 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -112.02 152.95 27.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 74.35 110.96 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.11 126.64 46.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.93 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' OE1' HG21 ' A' ' 7' ' ' VAL . 47.7 mt-30 -144.58 157.84 44.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.896 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.0 t -93.15 110.53 22.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 64.11 110.89 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.406 HG13 HG23 ' A' ' 7' ' ' VAL . 3.9 mp -101.59 146.99 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.11 111.103 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.4 m -118.59 143.96 46.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 71.45 110.876 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -122.35 116.12 23.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 70.33 110.849 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -109.83 112.93 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.957 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 95.9 m -102.85 128.61 49.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 74.33 110.875 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -110.12 102.96 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.51 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 73.52 110.952 -179.854 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.847 0.356 . . . . 64.13 110.92 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 m -125.28 172.77 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.919 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.79 118.34 33.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 65.14 110.917 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -126.92 161.77 27.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 73.33 110.921 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -165.69 140.06 4.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 71.13 110.88 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.475 HG21 HE21 ' A' ' 46' ' ' GLN . 6.7 p -93.9 140.05 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.168 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -112.09 86.13 2.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 63.2 110.927 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -64.56 -16.64 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 74.15 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -64.46 -25.31 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.3 110.914 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.64 147.45 71.3 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.698 0.761 . . . . 73.33 110.925 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 140.57 42.79 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.622 2.215 . . . . 75.21 112.369 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.3 t -68.78 -15.91 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 71.14 111.12 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 m -69.06 -29.83 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 74.31 110.837 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -23.15 57.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 61.44 110.882 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.2 t -51.49 -34.31 35.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 51.53 110.811 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -58.93 -34.78 72.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.975 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -77.51 133.54 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 64.21 110.931 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.88 -30.46 16.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 74.22 111.168 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -88.26 -14.66 37.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.862 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -81.14 -43.03 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.912 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.44 -63.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 61.43 110.905 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -28.23 40.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 70.54 110.858 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -69.83 -49.08 56.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.13 110.931 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.11 -28.52 65.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 72.54 110.813 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.9 m -79.13 -51.2 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.12 110.892 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -12.06 61.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.883 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD23 ' N ' ' A' ' 29' ' ' ASP . 3.3 tt -78.81 -62.59 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 73.41 110.883 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.571 ' N ' HD23 ' A' ' 28' ' ' LEU . 4.7 m-20 -94.39 -50.85 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 50.51 110.873 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -10.53 59.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 65.1 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 50.71 27.4 2.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 71.1 110.862 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.29 -164.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 53.4 111.148 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -134.2 -40.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.792 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -125.29 39.54 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.898 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.34 126.21 18.8 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.67 -0.776 . . . . 53.42 112.487 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -158.07 166.21 33.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 53.51 110.882 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.1 p -103.74 153.47 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 71.33 110.826 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -167.16 157.68 11.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 71.23 110.87 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -66.37 135.05 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.01 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -96.39 -176.17 3.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 74.4 110.843 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.58 -23.1 64.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.848 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -94.73 22.33 6.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 74.33 110.926 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 52.07 29.44 6.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 75.15 110.832 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -105.95 135.69 46.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.11 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.9 mt -89.68 114.66 26.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 61.24 110.933 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.475 HE21 HG21 ' A' ' 7' ' ' VAL . 6.9 mt-30 -137.25 162.8 32.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.0 t -93.78 110.51 22.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 73.22 110.896 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.24 143.93 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 74.52 111.111 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 9.1 m -109.3 142.93 39.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 65.35 110.933 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 18.1 m-20 -123.89 115.7 21.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.795 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -118.96 113.27 20.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.937 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -123.11 131.96 53.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.813 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -112.7 101.65 9.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 74.51 110.963 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 74.13 110.876 -179.82 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.784 0.326 . . . . 74.33 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.04 172.87 10.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 52.03 110.919 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -126.06 153.08 44.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 70.02 111.014 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -146.05 159.68 42.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.82 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -163.83 139.21 6.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.11 110.951 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 p -99.87 139.92 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 53.45 111.182 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.13 93.97 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 63.31 110.894 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -57.65 -31.15 66.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 44.15 110.855 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -61.41 -25.35 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.887 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -65.04 137.64 97.18 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.674 0.75 . . . . 62.14 110.957 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 135.59 30.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.646 2.23 . . . . 74.52 112.396 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.13 -19.37 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.6 m -68.66 -34.38 75.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 44.43 110.836 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -69.1 -26.04 64.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 64.3 110.887 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.8 t -52.25 -32.11 35.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 64.5 110.888 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -56.03 -26.4 48.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.21 110.896 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 mt -103.18 129.75 50.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 75.31 110.854 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.24 -49.97 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 32.2 111.126 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -58.09 -41.13 82.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 64.5 110.923 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -56.27 -47.14 79.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 72.11 110.835 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.32 -63.72 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 53.51 110.841 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.06 -29.44 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.877 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.18 -48.91 74.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 74.45 110.934 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.85 -27.59 49.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.87 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -74.25 -37.48 63.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 74.01 110.867 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.88 -10.99 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 72.23 110.847 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 29' ' ' ASP . 8.6 tt -79.99 -61.98 1.82 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 62.41 110.914 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.455 ' N ' HD23 ' A' ' 28' ' ' LEU . 5.4 m-20 -94.02 -51.89 4.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.887 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -11.16 60.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 62.3 110.929 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.5 t60 51.26 28.27 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.844 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -61.07 -165.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 70.13 111.083 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -133.12 -39.24 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.34 110.862 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -129.04 39.49 3.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.84 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.78 124.52 12.47 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.733 -0.746 . . . . 34.31 112.406 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -155.23 166.22 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.957 0.408 . . . . 64.33 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.2 p -107.61 145.65 33.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 73.13 110.856 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.719 ' CE1' HD13 ' A' ' 48' ' ' ILE . 33.4 p90 -167.04 162.75 15.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 63.41 110.903 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -58.76 138.08 57.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.892 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.14 -169.83 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 75.21 110.91 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.68 -20.72 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.884 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -93.83 19.42 8.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 55.42 110.927 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? 56.26 24.86 8.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 63.11 110.887 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.95 145.02 37.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.01 110.874 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.52 125.21 37.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.924 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -148.17 166.17 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.13 110.866 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.2 t -94.28 110.67 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 63.44 110.791 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.719 HD13 ' CE1' ' A' ' 38' ' ' PHE . 4.3 mp -103.77 140.87 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 65.53 111.132 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.2 m -111.41 135.26 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 54.14 110.902 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 8.5 m-20 -120.32 119.74 34.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.31 110.846 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -111.61 122.85 48.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 74.23 110.903 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.8 t -131.73 145.71 51.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 63.33 110.885 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -114.35 110.45 19.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.873 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 73.41 110.967 -179.851 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.834 0.35 . . . . 55.43 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.7 m -134.12 173.76 11.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 65.24 110.881 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -130.46 159.23 37.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 75.12 110.895 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.86 146.67 30.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -153.2 138.37 17.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.918 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.4 p -96.2 140.12 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 74.04 111.132 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.34 85.01 2.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 72.15 110.944 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.1 -20.52 58.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 75.32 110.937 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -57.91 -22.83 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.21 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -74.0 155.03 88.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.654 0.74 . . . . 71.4 110.915 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 121.68 8.38 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.645 2.23 . . . . 71.13 112.325 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.9 t -68.01 -15.86 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.11 111.143 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 m -69.68 -29.25 66.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 62.41 110.876 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -83.85 -12.15 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 53.35 110.9 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.4 t -51.8 -38.61 56.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 54.14 110.876 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -33.23 64.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 50.35 110.919 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.79 132.27 41.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.926 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -27.63 17.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 54.31 111.072 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -90.4 -15.42 31.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 72.23 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -82.22 -42.3 19.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 65.5 110.93 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -63.21 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 54.21 110.895 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -28.87 58.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 75.14 110.874 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -69.39 -42.06 75.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.44 110.949 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -77.99 -28.51 49.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 72.0 110.837 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.6 m -78.75 -51.51 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 72.15 110.886 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -68.7 -12.17 61.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 74.12 110.871 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 tp -79.09 -62.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.202 -0.454 . . . . 65.14 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.09 -50.99 5.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 44.4 110.884 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -10.09 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 65.34 110.955 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 52.1 m80 51.21 26.59 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 70.45 110.832 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.46 -164.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.117 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.96 -38.73 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 71.1 110.858 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 m -127.43 39.91 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.816 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.41 122.88 7.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.714 -0.755 . . . . 73.44 112.508 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -156.92 162.62 39.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.941 0.4 . . . . 33.21 110.9 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.5 p -103.35 151.12 23.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 42.33 110.827 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -161.24 154.1 20.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 70.35 110.902 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -58.95 134.01 56.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 72.05 110.999 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.42 -177.86 4.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.15 -0.477 . . . . 60.45 110.891 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.17 -19.15 64.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -101.19 24.68 9.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 74.43 110.917 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 57.41 23.49 9.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.857 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -103.19 127.45 50.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 71.33 110.921 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 10.4 mt -87.84 116.73 26.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 64.45 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -135.79 162.16 33.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.898 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.23 110.54 22.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 55.3 110.873 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -97.24 145.72 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 71.42 111.138 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 9.0 m -118.56 131.07 56.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.867 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.47 117.08 30.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.855 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -107.08 122.48 46.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 61.41 110.843 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.7 m -103.13 128.33 50.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.514 . . . . 52.12 110.881 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -103.13 103.88 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.13 110.948 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 75.04 110.881 -179.834 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.3 t0 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.812 0.339 . . . . 64.35 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -120.18 172.91 7.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 53.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.72 126.49 54.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 64.33 110.901 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.43 155.93 47.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.92 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -162.21 141.64 9.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 73.21 110.906 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 p -90.51 139.13 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 74.31 111.069 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -113.37 85.37 2.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.938 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -60.84 -20.02 60.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 75.02 110.882 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.27 -29.7 66.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 73.01 110.887 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.19 142.34 75.35 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.7 0.762 . . . . 72.45 110.946 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 141.93 46.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.745 2.297 . . . . 75.55 112.3 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.0 t -68.24 -15.72 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 75.05 111.152 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -70.04 -33.43 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 65.34 110.845 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.81 -20.28 59.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 65.33 110.902 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.0 t -51.53 -35.3 40.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 64.14 110.89 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -57.79 -33.29 68.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 62.14 110.947 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.24 133.13 37.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 51.13 110.936 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.16 -29.36 16.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.188 -0.46 . . . . 51.52 111.077 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -89.21 -17.61 28.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 73.41 110.838 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -77.43 -44.02 30.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 60.41 110.865 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -63.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 70.24 110.94 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -53.65 -29.52 38.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.858 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.71 -50.08 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 72.54 110.918 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.29 -36.01 80.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 64.44 110.873 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 66.2 m -71.7 -53.78 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.04 110.905 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -67.03 -10.97 55.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 72.43 110.953 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.519 HD23 ' HB2' ' A' ' 29' ' ' ASP . 1.1 tt -78.93 -62.32 1.74 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.894 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.519 ' HB2' HD23 ' A' ' 28' ' ' LEU . 18.5 t0 -94.76 -52.07 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -9.95 58.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 53.12 110.905 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 50.08 28.97 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.864 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 50' ' ' ASP . . . -60.82 -165.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 61.03 111.125 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.62 -39.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 73.32 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -125.38 39.15 4.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 72.35 110.854 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.73 118.56 6.45 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 63.05 112.543 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -153.41 167.71 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.352 . . . . 65.42 110.923 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.8 p -103.42 152.43 21.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 65.2 110.886 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.84 156.48 22.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.3 110.917 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -62.08 137.36 58.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 75.44 110.923 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.67 -177.82 4.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 74.01 110.893 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.59 -20.15 65.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.443 . . . . 74.51 110.871 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -100.9 25.18 8.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 72.52 110.913 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 56.95 24.12 9.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 71.22 110.822 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -102.6 128.6 49.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.825 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.2 mt -89.39 116.41 27.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.939 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -135.28 164.37 27.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 63.12 110.915 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.0 t -94.14 110.43 22.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 71.03 110.84 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.54 144.52 13.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 71.53 111.104 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.2 m -110.98 147.76 34.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.874 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 17.7 t70 -130.88 121.78 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.884 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -122.53 114.91 21.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.152 -0.476 . . . . 75.45 110.937 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 68.2 m -102.97 171.86 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 73.11 110.93 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -130.64 110.91 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.22 110.926 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 61.01 110.915 -179.818 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.855 0.36 . . . . 73.52 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -126.92 172.93 10.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 70.34 110.908 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -118.64 121.03 39.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.948 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? -123.07 162.06 23.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.04 110.899 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -167.5 146.38 4.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 73.25 110.922 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -109.56 139.81 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 71.33 111.133 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.85 125.6 42.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 75.01 110.964 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.54 -16.4 39.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 74.24 110.855 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -92.17 15.12 14.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 51.51 110.902 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -94.76 135.03 24.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.704 0.764 . . . . 73.03 110.898 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 122.33 8.99 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.653 2.236 . . . . 74.23 112.347 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.52 -26.03 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 75.43 111.115 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 m -65.76 -47.99 73.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 62.34 110.871 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -76.08 -18.97 58.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 72.13 110.863 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -31.82 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 72.12 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -53.92 -27.61 31.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.89 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.0 mt -82.43 125.94 31.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.908 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.2 -51.67 16.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 73.41 111.081 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -62.71 -17.14 60.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 65.13 110.829 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -79.94 -42.98 22.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.887 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -63.04 1.24 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 72.11 110.856 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -52.06 -30.52 26.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 62.42 110.834 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -69.81 -49.6 51.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 64.25 110.927 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -69.88 -27.98 65.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 75.31 110.877 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.0 m -79.02 -51.79 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.861 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -69.68 -10.71 59.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 72.42 110.89 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.4 tp -79.35 -62.33 1.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 75.44 110.899 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -94.48 -51.78 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 74.34 110.923 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -71.24 -9.98 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 64.15 110.854 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 50.13 29.11 3.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 74.03 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.0 -164.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 75.4 111.139 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -133.1 -39.93 0.93 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.826 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 t -126.83 38.69 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 55.12 110.858 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.67 123.56 23.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.725 -0.75 . . . . 74.41 112.521 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -148.05 169.49 19.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 75.43 110.89 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 93.7 m -103.7 145.76 29.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.879 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -167.95 174.44 7.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 72.04 110.917 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.575 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 70.8 m-85 -71.62 142.98 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 71.11 110.951 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.06 -176.35 3.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.866 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.1 -23.93 62.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.837 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -94.89 22.05 6.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.45 110.927 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 51.55 30.78 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.818 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.73 146.56 36.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.934 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 3.1 mt -86.68 114.64 23.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 73.53 110.91 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -136.86 175.16 9.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 71.34 110.915 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 t -101.98 110.63 22.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 65.13 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.69 128.84 52.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.01 111.158 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.0 m -103.32 131.88 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 52.23 110.85 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.439 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 47.7 t0 -114.8 124.17 51.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 65.43 110.85 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -125.5 112.91 16.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 75.21 110.954 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -122.91 141.97 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 55.41 110.871 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -128.28 124.43 36.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 62.42 110.906 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 74.54 110.921 -179.845 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.871 0.367 . . . . 75.02 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 12.0 m -115.66 173.71 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 63.44 110.96 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.5 152.64 38.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.918 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.05 146.47 30.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.11 110.872 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -156.93 143.53 18.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.4 110.897 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.414 HG23 HG13 ' A' ' 48' ' ' ILE . 7.6 p -101.49 140.05 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.12 111.148 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -122.8 89.68 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 60.23 110.895 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.79 -21.67 56.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 70.24 110.899 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.08 -24.32 53.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 63.53 110.897 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -72.17 153.7 92.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.645 0.736 . . . . 64.04 110.964 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 119.3 6.27 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.594 2.196 . . . . 53.44 112.393 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -68.13 -15.91 20.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 75.23 111.118 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -29.58 66.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 64.11 110.953 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -83.88 -11.46 56.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 75.05 110.935 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 13.7 t -50.68 -39.94 52.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.44 110.854 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -54.79 -35.05 63.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.891 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.34 134.46 44.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 72.42 110.899 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.25 -28.94 16.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 75.32 111.05 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -90.31 -15.51 31.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.266 -0.425 . . . . 65.32 110.887 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -80.49 -43.44 20.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 52.13 110.878 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -63.14 1.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 74.24 110.898 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -52.35 -30.73 30.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 75.31 110.904 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -68.88 -50.33 50.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 65.43 110.949 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -66.65 -29.3 69.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 75.23 110.843 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.3 m -78.4 -54.07 6.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 74.45 110.928 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -67.19 -10.99 56.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 73.22 110.875 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 tp -79.29 -62.32 1.73 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 73.22 110.872 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -94.45 -52.01 4.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.21 110.873 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -70.96 -9.21 57.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 65.02 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 50.77 28.36 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 74.34 110.888 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.442 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -60.62 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 75.23 111.13 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.8 mtt-85 -132.32 -40.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 61.01 110.858 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.6 t -127.85 39.64 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 34.35 110.853 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.15 118.95 5.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.655 -0.783 . . . . 74.15 112.543 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -152.47 163.81 38.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 63.1 110.931 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.6 p -103.41 153.02 20.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 74.04 110.883 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -166.55 156.66 11.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.905 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -58.95 141.85 52.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 70.35 110.91 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.0 -176.74 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 73.23 110.886 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.85 -20.04 66.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 35.43 110.84 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -94.21 20.95 7.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 73.13 110.88 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 53.74 27.47 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 65.21 110.9 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -110.05 155.53 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 64.35 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 mt -103.15 121.51 42.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 70.4 110.934 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -140.36 159.67 41.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 65.25 110.927 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.8 t -93.34 110.58 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 71.51 110.876 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.414 HG13 HG23 ' A' ' 7' ' ' VAL . 4.0 mp -101.31 146.87 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 61.33 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.5 m -118.63 152.46 36.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 74.11 110.861 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.98 128.75 37.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 74.12 110.887 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -121.27 121.1 36.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.936 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 52.2 m -102.66 136.76 41.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.164 -0.471 . . . . 70.32 110.854 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -111.77 100.98 9.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 74.33 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.5 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 74.21 110.898 -179.831 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.833 0.349 . . . . 61.01 110.872 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 m -123.79 172.93 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 71.51 110.885 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -134.52 152.55 51.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.901 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -146.58 138.71 24.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 73.55 110.846 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.8 ttmt -154.61 146.71 23.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.938 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -105.22 136.89 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 52.2 111.087 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -99.55 87.99 3.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 63.5 110.866 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.35 -32.42 62.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.843 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -59.54 -25.61 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 54.21 110.859 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.32 137.73 89.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.671 0.748 . . . . 74.51 110.917 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 138.43 37.96 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.71 2.274 . . . . 64.3 112.338 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.21 -15.85 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.118 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 m -69.19 -36.42 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 63.42 110.799 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -66.97 -26.7 66.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.867 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 44.5 t -52.38 -31.39 33.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 73.03 110.902 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -56.65 -27.25 58.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 65.04 110.85 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 mt -101.9 135.36 43.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 73.01 110.89 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.04 -31.6 16.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 52.42 111.128 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -78.46 -20.42 50.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 71.15 110.868 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.14 -42.05 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 65.13 110.9 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -62.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.944 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -54.81 -30.72 57.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 53.43 110.907 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -66.68 -50.38 63.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.464 . . . . 75.21 110.93 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -30.9 69.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 65.32 110.834 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.1 m -73.95 -53.14 10.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.915 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -67.33 -11.48 57.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 53.14 110.919 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 29' ' ' ASP . 2.1 tm? -79.19 -62.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 54.43 110.904 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' N ' HD13 ' A' ' 28' ' ' LEU . 5.9 m-20 -94.47 -51.91 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.9 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -70.85 -9.37 57.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 63.25 110.911 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 m80 50.98 28.24 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.912 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.34 -166.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 75.02 111.127 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.56 -40.07 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 62.21 110.868 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 t -131.51 39.2 3.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 54.35 110.847 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -50.22 121.82 10.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.756 . . . . 71.13 112.485 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -152.74 167.17 29.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.86 0.362 . . . . 71.22 110.909 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.4 p -103.83 150.1 24.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 70.5 110.933 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -162.7 164.39 26.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.866 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -65.44 139.01 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.4 110.918 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -94.59 -175.24 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.046 -0.524 . . . . 70.34 110.886 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.04 -22.73 66.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 75.44 110.879 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -102.23 26.92 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.12 110.866 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 56.47 26.85 11.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.848 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -102.19 126.34 49.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 43.14 110.872 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -83.53 121.31 27.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.893 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -142.68 163.63 32.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 52.31 110.886 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.1 t -94.6 111.11 22.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 74.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.8 mp -105.09 147.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.427 . . . . 65.43 111.086 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.8 m -117.63 137.05 52.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 62.24 110.823 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -113.2 120.94 42.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.906 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -112.32 120.66 42.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.937 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 t -145.72 128.41 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.95 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -112.99 105.68 13.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.54 110.872 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.4 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 62.45 110.9 -179.855 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.897 0.38 . . . . 60.54 110.82 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.5 m -121.87 173.34 7.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 54.33 110.857 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -111.42 114.86 28.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.886 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -121.59 155.23 35.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 64.14 110.92 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -163.22 145.41 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 72.32 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 p -102.09 132.03 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.13 111.168 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -99.91 82.52 2.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 73.5 110.893 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -64.19 -16.63 62.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 64.33 110.847 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -66.6 -26.26 67.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 62.1 110.881 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.37 152.66 78.83 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 121.711 0.767 . . . . 72.24 110.896 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 137.66 36.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.655 2.237 . . . . 74.21 112.382 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.2 -25.09 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 64.42 111.129 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.4 m -56.5 -30.08 62.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 62.34 110.909 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -71.52 -25.68 62.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 73.1 110.933 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 54.0 t -51.97 -33.05 36.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.854 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -54.83 -26.05 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 75.04 110.839 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 mt -103.05 130.8 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 71.1 110.879 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.86 -49.96 9.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 72.52 111.089 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -58.43 -35.7 72.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.911 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -61.49 -45.69 93.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 55.35 110.941 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.64 -58.16 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 43.52 110.807 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -63.65 -27.3 69.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 72.11 110.887 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -64.41 -50.3 68.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 74.31 110.896 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -74.79 -33.06 62.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.829 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.7 m -68.81 -52.24 32.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 43.04 110.885 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -65.87 -12.51 54.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 73.14 110.949 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.2 tp -78.77 -62.4 1.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.51 110.907 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.63 -52.27 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 62.12 110.854 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -10.1 58.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 70.14 110.941 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 48.45 31.53 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 70.25 110.901 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.76 -161.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.255 -0.43 . . . . 23.44 111.084 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 -36.91 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.834 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t -133.54 41.53 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 62.43 110.798 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.76 124.12 9.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 34.22 112.494 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -153.55 171.38 18.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.376 . . . . 73.35 110.869 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 p -114.8 145.84 41.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 42.55 110.865 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.819 ' CE1' HD13 ' A' ' 48' ' ' ILE . 38.5 p90 -168.22 167.1 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 74.53 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 5.0 m-85 -58.68 121.26 10.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.5 110.954 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 p30 -87.74 -176.26 5.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 75.23 110.784 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -58.74 -23.22 59.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 73.43 110.905 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -92.3 15.43 13.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 74.13 110.881 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 57.2 23.88 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.87 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -109.91 135.75 50.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 72.12 110.873 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 ' CZ ' ' A' ' 39' ' ' TYR . 7.5 mt -77.89 114.95 17.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 70.34 110.97 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -139.6 165.01 28.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.4 110.917 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 t -92.86 111.26 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.973 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.819 HD13 ' CE1' ' A' ' 38' ' ' PHE . 3.8 mp -108.31 145.71 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 60.53 111.169 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 8.0 m -112.45 144.93 41.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.02 110.881 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.93 112.49 18.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 65.2 110.92 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -116.03 112.75 22.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.928 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 87.6 m -102.89 173.92 6.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.869 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -119.9 112.44 19.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.5 110.911 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 75.23 110.935 -179.825 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.2 t70 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.821 0.344 . . . . 73.1 110.868 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -131.11 172.98 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 62.22 110.886 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? -124.86 150.68 46.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.908 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -146.07 154.62 42.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.842 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -159.32 139.43 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 60.43 110.881 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.6 p -104.68 130.93 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 75.14 111.114 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -110.54 89.19 2.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 72.02 110.968 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -64.59 -20.26 66.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 72.43 110.915 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -64.63 -15.41 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.823 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.92 158.35 70.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 71.3 111.002 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 128.31 15.88 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.765 2.31 . . . . 65.21 112.366 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.9 t -68.24 -25.41 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 70.15 111.098 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.0 m -57.62 -29.72 64.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.851 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -70.48 -27.63 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 61.43 110.898 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.7 t -53.05 -30.84 38.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 70.21 110.928 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -57.58 -23.9 53.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 26.4 mt -106.18 138.39 42.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 55.11 110.886 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.28 -39.7 14.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.51 111.066 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -72.06 -34.8 69.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.1 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -61.11 -46.1 91.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 45.54 110.937 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -59.97 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 75.11 110.88 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -61.22 -30.88 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 61.4 110.923 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -60.62 -49.49 77.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 64.45 110.956 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -78.68 -28.15 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 70.53 110.818 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.5 m -72.71 -32.63 65.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 71.11 110.866 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -87.3 -10.02 53.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.932 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.03 -61.78 1.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 64.1 110.911 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.29 -51.94 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 63.12 110.817 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -71.62 -11.85 61.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.11 110.943 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.8 m80 50.1 31.5 5.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 64.51 110.839 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.71 -162.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 61.32 111.19 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -134.15 -37.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 71.33 110.919 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -133.44 41.04 3.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 62.42 110.832 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.22 119.43 5.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.73 . . . . 62.22 112.432 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -149.89 164.49 35.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.818 0.342 . . . . 73.1 110.899 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.1 p -103.49 151.56 22.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 53.33 110.881 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -164.52 172.85 12.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.24 110.916 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.489 ' CE2' HD21 ' A' ' 45' ' ' LEU . 37.2 m-85 -69.31 140.89 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.32 110.94 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.78 169.95 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 72.44 110.867 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.15 -22.12 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.94 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -91.01 15.03 12.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 61.33 110.924 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? 58.81 40.93 22.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 54.41 110.854 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -128.56 148.45 50.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 52.03 110.892 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD21 ' CE2' ' A' ' 39' ' ' TYR . 8.5 mt -90.82 124.14 34.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 53.45 110.925 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -143.48 162.05 36.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.891 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.8 t -94.41 110.71 22.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.839 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mp -100.62 143.49 14.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.123 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.4 m -117.88 129.9 55.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 73.31 110.875 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.16 120.92 42.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.22 110.9 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -113.56 120.35 40.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 75.5 110.908 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.0 t -129.39 137.84 51.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 63.14 110.916 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -123.45 101.77 7.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 73.11 110.941 -179.87 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.933 0.397 . . . . 64.14 110.84 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.8 m -117.8 172.85 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 71.22 110.805 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.24 122.47 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 44.33 110.877 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -125.19 162.1 25.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.906 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -163.63 152.73 14.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 72.4 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -102.99 139.88 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 72.3 111.166 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.76 125.91 42.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 72.32 110.942 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.12 -16.79 28.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 60.42 110.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -92.0 15.1 13.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 53.23 110.959 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -98.91 134.84 21.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.652 0.739 . . . . 75.32 110.961 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.13 14.16 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.62 2.214 . . . . 75.15 112.375 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 45' ' ' LEU . 57.4 t -66.96 -29.46 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.112 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -65.15 -50.27 66.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 70.42 110.855 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -76.32 -8.77 57.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.853 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -30.5 71.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 72.03 110.864 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -56.39 -25.4 49.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 75.41 110.874 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -72.65 139.81 47.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 42.02 110.836 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.2 -29.89 16.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 65.42 111.133 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -90.12 -14.1 34.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 62.54 110.944 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -81.92 -42.23 19.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.911 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.03 -63.03 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 53.4 110.872 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -52.2 -31.51 32.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 75.1 110.863 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -69.38 -50.16 48.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 73.13 110.902 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -68.17 -28.29 67.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 74.4 110.837 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 m -78.85 -52.73 7.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 41.23 110.874 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -68.39 -11.64 59.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 62.33 110.855 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 29' ' ' ASP . 4.1 tt -79.34 -62.24 1.75 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 50.13 110.875 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.558 ' N ' HD23 ' A' ' 28' ' ' LEU . 6.1 m-20 -94.21 -51.52 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 70.14 110.865 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 mmtm -70.78 -9.44 57.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 72.03 110.925 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 51.16 27.56 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 72.42 110.796 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 49' ' ' CYS . . . -61.15 -163.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 61.32 111.141 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -134.32 -41.07 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 74.31 110.885 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 t -128.22 38.9 3.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 54.51 110.835 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.38 123.89 23.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 54.03 112.496 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -145.46 170.82 15.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 70.3 110.818 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.1 m -103.94 145.63 29.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 64.41 110.88 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -162.22 162.77 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 61.51 110.863 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -76.75 147.9 37.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 71.22 110.932 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -104.48 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 72.35 110.828 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -63.42 -20.47 65.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 61.15 110.889 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -94.69 23.01 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.851 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 51.79 30.25 6.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 73.31 110.875 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -110.05 136.34 49.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.14 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB2' HG13 ' A' ' 13' ' ' VAL . 9.0 mt -88.13 125.15 34.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.935 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -142.86 175.51 9.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.919 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.9 t -105.02 110.66 23.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 75.43 110.889 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.4 mp -100.57 134.74 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 75.35 111.193 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 12.1 m -106.44 142.67 35.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.903 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.54 117.64 29.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.789 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -117.0 113.18 21.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.912 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.67 143.63 51.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 71.41 110.863 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -125.46 110.48 13.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 75.52 110.925 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.884 -179.839 . . . . . . . . 0 0 . 1 stop_ save_