data_2djv_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 2djv _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 ' 10' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.84 0.353 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -67.85 -60.1 5.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.75 -12.29 32.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 23.5 mm-40 -85.42 -61.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -46.42 -40.66 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.3 mt -48.58 -53.79 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -52.17 -36.47 51.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.55 -42.62 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 21' ' ' GLU . 87.9 mt -59.23 -57.35 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LEU . 22.4 mtm -36.09 -51.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.17 -40.64 77.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' LEU . 5.2 mm-40 -62.53 -46.24 89.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.1 t -53.6 -39.49 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.9 m -72.65 -58.33 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 62.4 tttt -50.89 -48.74 60.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -52.77 -63.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.63 -40.02 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -71.51 -51.2 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 54.4 mt -50.86 -39.49 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.78 -34.64 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -66.17 -46.99 75.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.98 -37.22 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.7 mt -54.55 -49.03 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -73.39 -29.17 62.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -19.61 62.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -110.99 16.94 20.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm 53.04 45.66 28.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 152.5 30.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.47 132.16 47.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -46.04 -38.0 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -68.79 -46.55 68.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -59.63 -41.79 91.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.11 -53.95 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.18 -48.66 9.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.69 -60.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -63.34 -46.51 86.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -40.19 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.51 -52.48 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -49.41 -46.9 48.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.57 -56.2 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.9 mt -48.93 -30.12 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.04 -42.76 25.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.2 mt -53.4 -52.51 59.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -46.97 -41.39 16.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -72.49 -60.33 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -47.96 -21.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.06 -57.3 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.66 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.7 t -51.12 -52.82 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.7 -49.34 28.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.59 -45.28 91.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.73 -33.05 1.08 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.925 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.83 0.347 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 24.2 mmtt -64.53 -60.04 9.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.73 1.62 4.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 15.9 tt0 -104.63 -35.53 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -71.25 -28.73 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.3 mt -54.38 -61.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -43.79 -40.45 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.41 69.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.1 mt -58.44 -49.45 77.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.8 mtm -46.3 -51.8 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -54.19 -39.09 66.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.75 -53.44 40.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.3 t -52.26 -42.14 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.8 m -71.13 -58.85 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 11.3 ttmm -53.19 -60.24 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -43.13 -50.83 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.01 -41.31 52.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -76.57 -12.98 60.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.405 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 95.8 mt -91.75 -35.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.56 -26.12 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' CG ' ' N ' ' A' ' 31' ' ' GLU . 8.8 ptm180 -72.23 -51.3 21.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 10.5 pt-20 -59.39 -38.63 81.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 mt -51.94 -60.27 3.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -56.01 -36.63 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -26.91 63.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 37' ' ' ALA . 35.9 mt-30 -95.43 25.68 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' GLN . 9.8 pttp 34.56 34.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . -57.28 155.07 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -50.77 123.21 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -28.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.25 -39.03 60.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.6 -40.14 84.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.0 t -68.04 -51.6 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.93 -52.62 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.6 -50.17 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.2 -46.17 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -51.3 -58.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.57 -52.06 11.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -60.17 4.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.7 tp -42.56 -48.98 5.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -54.29 -39.31 66.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.14 -19.51 56.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.2 mt -80.05 -15.15 57.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -84.0 -27.82 28.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -88.84 -35.72 16.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -65.51 -33.97 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -63.78 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.98 -47.47 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.42 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.14 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.074 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -75.63 -30.57 59.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.62 27.58 26.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.0 pttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.905 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 6.7 mptt -71.09 -59.93 3.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.545 0.688 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.79 0.19 6.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -106.38 -53.22 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 15' ' ' ILE . 10.5 pt20 -52.02 -33.32 38.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 14' ' ' GLN . 57.5 mt -35.4 -44.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -67.07 -49.24 65.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.57 -34.9 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 20' ' ' ASP . 17.7 mt -72.71 -63.04 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 36.9 mtm -41.99 -25.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.9 t70 -74.41 -56.58 4.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -63.49 -38.75 92.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.61 -48.71 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -49.27 -56.21 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -56.1 -38.16 70.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.422 ' OE1' ' C ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -49.58 -69.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.86 -34.11 10.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -66.99 -35.59 80.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -70.62 -40.25 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.26 -34.78 68.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 ttm-85 -68.4 -53.62 22.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.14 -40.16 92.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 11.4 mt -55.3 -55.25 33.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -63.17 -40.55 97.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.88 -23.31 66.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -99.98 23.59 9.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.42 37.55 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.58 158.59 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.416 ' HB3' ' CB ' ' A' ' 41' ' ' GLU . 6.3 t0 -57.21 118.88 5.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -38.46 -50.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -66.06 -40.83 91.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 4.9 tp10 -61.41 -28.83 69.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -75.3 -37.91 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.83 -51.02 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.85 -43.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' HG3' ' CD1' ' A' ' 32' ' ' LEU . 45.4 mm-40 -75.69 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.1 t -46.96 -25.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.79 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -82.27 -23.0 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -72.47 -36.75 68.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.91 -42.07 88.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.51 -46.42 54.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.9 mt -48.48 -53.47 17.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -40.78 -45.34 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -69.58 -65.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -41.84 -27.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.71 -65.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.91 -54.17 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.4 t -52.56 -46.5 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.83 -41.1 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.0 -45.32 92.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.77 -36.0 0.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.877 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -64.28 -59.97 9.72 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.78 -6.39 18.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -96.92 -57.67 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 10.1 pt20 -45.26 -29.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CG2' ' SD ' ' A' ' 19' ' ' MET . 73.5 mt -42.19 -58.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -50.86 -52.65 39.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.25 -22.32 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 25.5 mt -88.07 -54.73 4.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.46 ' SD ' ' CG2' ' A' ' 15' ' ' ILE . 30.0 mtp -47.63 -42.42 24.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -58.58 -62.87 1.53 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 8.6 pt-20 -52.88 -45.19 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -53.37 -40.13 38.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.5 m -68.14 -61.16 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -49.64 -52.56 29.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' NE2' ' HB3' ' A' ' 45' ' ' GLU . 31.7 tp60 -45.01 -58.48 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.97 -52.85 9.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -52.99 -49.47 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -54.43 -39.73 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -68.55 -42.06 83.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.58 -50.32 74.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.34 -41.11 96.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -53.1 -40.39 64.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -72.63 -40.01 66.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.34 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.6 pt20 -96.04 23.44 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER 33.99 41.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.31 161.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.72 119.21 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -39.51 -68.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 0.5 OUTLIER -40.1 -52.88 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -54.19 -53.65 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.8 t -52.89 -49.85 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.05 -42.91 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.91 -49.83 15.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HB3' ' NE2' ' A' ' 25' ' ' GLN . 5.5 mm-40 -74.61 -45.06 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.8 t -45.38 -66.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.54 -45.51 37.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -56.0 -52.03 65.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.38 -46.39 80.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.9 mt -51.4 -24.24 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -88.44 -43.1 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.2 mt -52.2 -20.61 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -74.53 -31.62 62.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 2.9 ptmt -81.76 -36.66 28.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -69.41 -41.96 75.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.16 -65.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.32 -59.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 54' ' ' LYS . 95.7 t -47.61 -56.05 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.76 -41.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.47 -41.98 31.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.05 -3.33 3.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 0.0 110.926 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 2.4 mmmp? -67.78 -60.01 5.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.7 -1.27 8.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 60.9 mt-30 -104.81 -43.05 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -59.19 -26.72 65.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.3 mt -45.31 -58.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -49.94 -56.69 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.17 -37.89 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.0 mt -70.51 -54.72 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.9 mtm -50.11 -26.59 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -73.69 -57.16 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.482 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 17.9 pt-20 -61.48 -40.44 94.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.62 -52.5 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -51.91 -56.19 15.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.468 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 25.2 ttpt -52.1 -58.3 6.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 32.2 tp60 -56.5 -35.07 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.51 -54.72 18.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.473 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 24' ' ' LYS . 1.3 p30 -61.33 -35.62 77.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.448 HD13 ' CG ' ' A' ' 24' ' ' LYS . 70.5 mt -62.81 -40.42 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.01 -35.42 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 ttp85 -67.51 -49.03 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 14.2 pt-20 -62.68 -42.22 99.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 15.9 mt -50.76 -52.14 43.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.45 -46.91 83.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.27 70.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 31.8 mt-30 -89.28 26.58 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' GLN . 8.9 ptmm? 34.31 42.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.65 155.19 38.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -53.27 132.05 38.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -46.63 -52.34 13.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -56.63 -46.45 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -59.09 -46.27 88.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.41 -39.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -56.3 -59.26 5.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -37.18 -38.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -75.57 -45.76 35.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.8 -40.61 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.31 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' HD2' ' NE2' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -74.1 -29.43 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 9.6 tp -67.24 -50.2 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.7 mt -46.93 -41.79 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -68.84 -41.14 78.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' OE2' ' A' ' 21' ' ' GLU . 22.1 mt -56.03 -34.34 65.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -55.04 -42.53 72.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' LEU . 75.9 mttt -68.38 -60.89 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -43.34 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -87.15 -67.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.17 -53.2 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.89 -43.94 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.22 -60.5 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.78 -37.23 78.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.413 ' C ' ' HE2' ' A' ' 62' ' ' LYS . . . 112.71 25.6 4.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HE2' ' C ' ' A' ' 61' ' ' GLY . 6.2 mmpt? . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.586 0.707 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.824 0.345 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -71.33 -59.96 2.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.908 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 52.9 Cg_endo -69.79 2.09 3.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -101.67 -53.26 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 9.5 pt20 -53.01 -40.13 63.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 79.4 mt -40.47 -62.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -45.18 -44.02 10.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.38 81.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.042 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.514 ' CD1' ' CB ' ' A' ' 59' ' ' ALA . 16.4 mt -60.16 -64.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.5 mtm -41.75 -36.44 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.09 -59.57 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 9.1 pt-20 -59.65 -39.74 85.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.411 ' CG2' HD21 ' A' ' 56' ' ' LEU . 96.6 t -56.29 -39.89 62.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.8 m -71.7 -59.06 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 13.0 ttpt -46.95 -42.66 18.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 51.9 tp60 -46.98 -58.29 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.06 -40.38 28.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 24' ' ' LYS . 25.5 m-20 -62.22 -43.62 98.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.92 -44.47 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.83 -37.6 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -70.19 -52.09 26.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -38.74 92.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -53.35 -47.47 69.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -62.39 -44.74 95.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.32 -36.94 71.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -86.81 26.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 39.11 40.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.63 158.5 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.403 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 36.0 t70 -62.63 131.93 50.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -46.03 -50.89 14.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -56.72 -53.97 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 5.9 mm-40 -51.79 -49.75 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.82 -48.06 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.25 -41.87 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.79 -61.19 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' HB3' ' NE2' ' A' ' 25' ' ' GLN . 4.9 mm-40 -55.65 -36.14 66.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.6 t -57.39 -63.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.19 -52.41 44.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -54.31 -52.69 60.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp -52.91 -48.79 66.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.9 mt -45.9 -39.51 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' LYS . 84.2 m-20 -73.61 -50.17 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' CD2' ' OE2' ' A' ' 21' ' ' GLU . 38.0 mt -42.25 -36.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -60.34 -39.9 88.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -84.34 -34.93 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -65.67 -37.54 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 18' ' ' LEU . 1.4 tm? -63.01 -51.38 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.95 83.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.4 t -55.35 -54.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.514 ' CB ' ' CD1' ' A' ' 18' ' ' LEU . . . -45.05 -47.06 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.83 -43.64 75.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.91 -39.91 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.841 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.863 0.364 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 31.9 mmtt -63.72 -59.97 10.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.55 0.691 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.4 Cg_endo -69.78 -0.21 6.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -103.1 -47.68 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 12.4 pt20 -57.97 -31.88 67.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.445 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 87.0 mt -44.13 -61.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 5.9 tp60 -46.5 -48.42 19.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.16 83.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 56' ' ' LEU . 28.0 mt -50.17 -55.32 15.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.3 mtm -52.83 -41.12 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -62.45 -50.29 72.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -48.46 -56.12 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -44.22 -42.69 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 m -63.24 -67.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 4.0 tppt? -54.93 -63.83 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -48.36 -35.29 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.7 -49.83 57.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 28' ' ' ILE . 3.4 p30 -69.7 -33.74 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.5 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 12.0 mt -60.27 -42.52 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.69 -44.18 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -57.71 -50.5 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 17.0 pt-20 -61.91 -42.19 98.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 13.2 mt -47.62 -52.23 18.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -63.96 -38.56 91.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.29 91.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.132 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -85.77 27.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? 44.22 48.06 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.48 166.72 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.41 130.69 41.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -48.97 -46.46 43.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -47.96 83.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.6 -50.57 73.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.8 t -57.23 -45.25 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.74 -49.61 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.19 -54.49 6.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.24 -45.8 83.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 81.9 t -47.28 -59.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.4 -56.9 10.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -49.58 -54.49 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 tp -47.43 -49.53 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -53.35 -42.78 67.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -62.83 -37.25 86.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.23 -29.7 70.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -67.31 -36.63 81.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 1.1 ptmm? -87.56 -33.95 18.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 22.5 mt-30 -63.67 -41.0 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.444 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . 3.6 tt -63.6 -64.96 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.25 -53.84 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.1 t -48.85 -43.31 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.61 -57.49 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -53.03 -39.17 62.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.31 24.33 2.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.845 0.355 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -65.96 -58.37 11.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.589 0.709 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.76 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -91.67 -46.63 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -57.83 -25.99 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 12' ' ' PRO . 89.4 mt -45.15 -55.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -48.49 -47.31 38.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.47 -33.02 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 20' ' ' ASP . 36.9 mt -80.36 -62.91 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.1 mtm -39.8 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.5 t0 -77.5 -65.53 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.22 -47.36 75.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.2 t -49.6 -45.93 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.6 m -58.21 -61.51 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -48.08 -48.36 33.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -42.31 -57.14 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.32 -48.19 27.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.76 -45.59 91.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.1 mt -53.26 -41.63 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.69 -45.65 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -60.47 -47.62 85.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.79 -45.55 78.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.24 -55.33 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -58.68 -41.67 86.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.14 -22.89 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' LYS . 57.6 mt-30 -94.47 26.96 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' GLN . 17.0 pttm 37.83 40.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 160.8 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.53 140.28 54.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -52.09 -47.75 65.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -63.58 -44.15 94.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -46.94 72.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.8 t -67.62 -50.92 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.94 -44.69 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.33 -50.08 68.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -63.58 -47.74 80.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.1 t -49.9 -57.28 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.84 -43.2 65.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -62.21 -52.21 64.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.9 tp -41.95 -38.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.2 mt -59.96 -56.54 20.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -53.83 -29.73 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.6 mt -78.03 -30.26 49.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -76.26 -27.72 56.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -84.55 -34.45 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -73.16 -47.13 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -56.29 -48.5 76.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.25 37.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.24 -47.9 83.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.85 -49.28 8.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.3 -43.87 72.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.02 -40.12 0.86 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB2' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.83 0.348 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -67.85 -59.97 5.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.921 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.71 2.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.405 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' CD ' ' C ' ' A' ' 13' ' ' GLN . 1.5 tm0? -105.05 -55.2 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 15.5 pt20 -50.06 -33.5 18.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 97.0 mt -47.26 -57.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -47.03 -56.3 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.37 -45.27 65.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.11 -58.91 6.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.2 mtm -44.63 -24.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -82.24 -65.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -55.92 -49.9 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -51.5 -47.81 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -64.96 -57.19 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -46.29 -47.79 18.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 38.3 tp60 -54.4 -50.23 68.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.38 -35.39 60.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.462 ' HA ' ' CD ' ' A' ' 30' ' ' ARG . 65.9 m-20 -73.42 -18.04 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.9 mt -85.09 -31.77 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.94 -37.99 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.462 ' CD ' ' HA ' ' A' ' 27' ' ' ASN . 15.7 ptm180 -56.57 -49.53 74.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 8.4 pt-20 -67.69 -37.77 82.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 15.8 mt -53.69 -47.53 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -73.0 -27.76 61.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.55 -6.07 54.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -116.42 26.72 9.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 mttm 40.67 34.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.75 171.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -72.14 131.5 42.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -45.5 -42.08 10.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -66.95 -47.4 71.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.74 -45.12 82.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.27 -60.61 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.45 -46.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.38 -56.83 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.4 -41.9 93.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' ALA . 95.9 t -52.7 -64.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -34.2 -43.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -73.15 -49.94 25.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.9 -48.86 60.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -55.06 -34.96 64.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -78.63 -23.81 45.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' CD1' ' HG2' ' A' ' 25' ' ' GLN . 36.9 mt -77.11 -23.58 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -73.35 -32.58 64.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 1.0 OUTLIER -83.16 -34.69 25.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 34.6 mt-30 -66.6 -38.52 87.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.18 -57.09 13.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.25 -46.71 72.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.1 t -53.47 -56.37 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.85 -53.02 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.68 -36.04 81.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.45 30.34 14.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 110.927 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.827 0.346 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 13.8 mmtp -69.56 -60.01 4.28 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.558 0.694 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.8 -0.74 7.39 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -102.75 -47.59 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -56.85 -34.93 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.8 mt -52.31 -59.36 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -47.85 -34.06 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.2 -52.79 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.47 -49.01 71.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.46 ' CG ' HD23 ' A' ' 56' ' ' LEU . 9.1 mtm -42.74 -49.54 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -65.08 -38.14 89.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.74 -47.21 83.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.29 -47.87 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.2 m -63.38 -53.74 47.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -57.98 -59.69 4.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -44.32 -46.1 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.74 -37.0 93.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -67.25 -41.04 86.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.91 -37.91 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.19 -40.69 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.74 -56.93 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 1.9 pp20? -58.62 -35.53 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.83 -47.64 82.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -63.93 -43.22 96.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.55 71.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 31' ' ' GLU . 39.8 mt-30 -87.2 26.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt 40.8 43.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.19 155.74 36.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.05 132.23 53.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -47.89 -48.75 31.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -56.29 -42.95 78.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -61.07 -45.42 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -66.62 -52.8 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.34 -57.51 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.31 -54.32 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -55.54 -48.96 73.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.2 t -50.14 -58.03 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.14 -53.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -55.75 -54.55 43.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.4 tp -47.36 -50.42 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.4 -46.6 13.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.76 -54.47 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.5 mt -42.55 -40.28 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -48.81 -42.24 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER -77.79 -38.06 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.455 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 34.5 mt-30 -58.5 -26.94 63.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.46 HD23 ' CG ' ' A' ' 19' ' ' MET . 2.6 tm? -79.31 -62.66 1.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.91 -50.61 68.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.572 ' CG1' ' N ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -51.94 -47.24 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.572 ' N ' ' CG1' ' A' ' 58' ' ' VAL . . . -47.88 -45.81 30.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -72.17 -37.86 69.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.63 -18.72 4.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.553 0.692 . . . . 0.0 110.89 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' HB1' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.863 0.363 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 3.0 tptp -60.6 -59.54 13.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.553 0.692 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.79 -2.74 10.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 tm0? -97.01 -62.77 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -38.45 -26.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' GLN . 70.6 mt -42.51 -58.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -45.69 -38.76 7.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.2 -30.37 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.93 -56.1 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 40.2 mtm -50.55 -34.06 24.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.82 -56.19 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 11.3 pt-20 -62.79 -33.68 75.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.3 t -65.13 -55.71 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 m -48.55 -60.98 2.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -49.26 -54.4 17.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -42.88 -43.94 4.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.15 -40.41 98.5 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -71.29 -45.15 63.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.47 -45.61 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.2 -40.5 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -61.0 -45.12 96.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 8.6 pt-20 -72.1 -36.66 69.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 16.0 mt -54.83 -49.53 70.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -67.07 -40.63 87.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.22 -25.61 68.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -94.35 26.42 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.1 mttm 42.04 35.65 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.91 152.25 28.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -60.57 139.04 57.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -46.66 -46.4 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -58.13 -54.07 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -54.79 -45.79 74.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.76 -60.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -41.7 -49.58 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -37.34 -59.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.05 -47.36 74.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.7 t -44.25 -51.1 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.82 -50.82 55.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' ASP . 22.4 ttmt -56.75 -61.47 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 tp -40.71 -46.93 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -51.57 -39.35 57.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' LYS . 84.4 m-20 -74.99 -55.51 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.487 ' CD2' ' OE2' ' A' ' 21' ' ' GLU . 10.2 mt -45.84 -37.35 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -53.81 -42.16 68.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -77.21 -33.15 56.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 14.0 mt-30 -64.88 -44.7 88.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.56 -60.81 3.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.453 ' CB ' ' HD2' ' A' ' 62' ' ' LYS . . . -42.17 -62.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.9 t -51.87 -51.86 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.88 -45.55 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.15 -48.58 28.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.28 -22.55 2.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.45 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.453 ' HD2' ' CB ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.874 0.369 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -70.16 -59.99 3.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.8 -12.85 33.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.738 2.292 . . . . 0.0 112.34 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 33.1 mt-30 -91.55 -55.21 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 15' ' ' ILE . 19.2 pt20 -51.46 -48.4 62.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.438 ' N ' ' CG ' ' A' ' 14' ' ' GLN . 60.5 mt -40.81 -60.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -47.8 -40.04 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -46.45 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.588 ' CD1' ' CB ' ' A' ' 59' ' ' ALA . 18.9 mt -58.15 -56.65 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 36.1 mtm -39.91 -47.57 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -62.38 -46.19 89.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -50.4 -51.37 46.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.87 -53.07 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.9 m -49.57 -49.14 47.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -66.76 -51.71 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' NE2' ' HB3' ' A' ' 45' ' ' GLU . 14.6 tp60 -50.5 -59.1 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.59 -40.7 8.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -71.27 -40.21 71.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.12 -39.09 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.7 t -68.86 -38.55 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -62.14 -54.36 42.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.78 -42.5 97.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.5 mt -45.31 -49.59 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -65.3 -43.56 90.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -41.34 85.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -85.71 26.62 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.41 42.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.01 166.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.459 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 32.8 t0 -74.9 124.1 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -38.91 -53.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -58.68 -48.54 80.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 6.6 mm-40 -52.89 -49.44 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.92 -46.02 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.91 -41.11 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -56.08 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HB3' ' NE2' ' A' ' 25' ' ' GLN . 9.6 mm-40 -58.91 -34.65 71.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.15 -47.22 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.72 20.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -62.05 -35.27 78.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' LEU . 22.7 tp -64.12 -70.96 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' LEU . 94.9 mt -35.1 -34.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -81.95 -44.7 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.7 mt -52.98 -34.63 56.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -56.93 -42.42 79.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 4.5 ptmt -72.91 -33.05 65.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.458 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 31.3 mt-30 -68.7 -49.81 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.89 -52.14 44.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.32 -53.22 60.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.9 t -51.95 -55.57 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.588 ' CB ' ' CD1' ' A' ' 18' ' ' LEU . . . -42.35 -48.02 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -65.49 -43.4 90.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.93 -37.65 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.924 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.799 0.333 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 13.4 mmtm -62.59 -59.94 11.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.78 -1.69 8.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.26 . . . . 0.0 112.356 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -100.79 -56.03 2.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -48.89 -44.02 39.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.1 mt -39.65 -57.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -51.92 -42.59 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.14 -54.8 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLU . 20.1 mt -51.95 -55.85 17.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' LEU . 19.7 mtp -36.26 -57.95 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.45 -42.84 54.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' LEU . 34.3 mm-40 -59.52 -52.85 63.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.5 -42.04 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.5 m -66.65 -57.85 6.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' GLN . 28.0 ttpt -57.38 -58.46 8.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.462 ' NE2' ' HD2' ' A' ' 48' ' ' LYS . 42.9 tp60 -37.97 -57.73 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.28 -40.4 29.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -67.01 -44.89 79.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.8 mt -51.51 -42.87 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -62.84 -41.87 94.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -61.95 -53.23 58.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.83 -39.96 93.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 12.5 mt -48.62 -58.45 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -53.13 -45.23 68.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.82 72.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -86.83 26.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt 41.49 42.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.12 143.67 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.11 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.58 135.35 56.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -44.6 -36.65 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.463 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 46.7 t30 -66.36 -48.51 69.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -54.57 -41.46 69.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -69.8 -47.05 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.18 -46.15 11.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.54 -60.42 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' ' 32' ' ' LEU . 41.0 mm-40 -53.7 -43.58 69.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.9 t -60.38 -49.02 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.84 -55.1 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD2' ' NE2' ' A' ' 25' ' ' GLN . 15.5 ptpt -62.29 -36.34 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 29.1 tp -58.57 -38.6 78.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.46 -45.5 91.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -70.04 -32.06 70.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.87 -31.47 72.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -67.99 -36.87 80.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 14.6 pttt -85.85 -35.69 20.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 6.5 mt-30 -60.06 -40.97 91.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.14 -56.22 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.36 -55.6 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.2 t -42.71 -60.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.22 -54.46 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -62.0 -36.17 80.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.55 31.08 6.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.4 mttt . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 0.0 110.933 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -66.12 -59.96 7.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.948 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.3 Cg_endo -69.72 -0.88 7.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -99.69 -45.81 5.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -65.03 -35.96 82.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' LEU . 47.7 mt -47.26 -62.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -40.13 -41.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.61 -41.03 80.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' ILE . 44.3 mt -55.77 -45.53 78.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.4 mtm -55.52 -37.79 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -67.19 -48.61 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -47.26 -58.01 4.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -40.13 -45.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.2 m -58.35 -68.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -47.38 -51.77 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' OE1' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -51.18 -53.62 33.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.43 -45.93 29.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.97 -47.84 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.8 mt -48.56 -54.85 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -52.56 -48.8 46.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -51.85 -40.53 60.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.15 -45.44 84.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.3 mt -54.0 -57.93 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -66.62 -17.76 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.5 -25.93 24.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -111.46 15.46 21.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm 47.54 45.32 17.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.4 161.89 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -55.45 136.94 49.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -39.11 -54.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.61 -39.63 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -60.27 -41.18 92.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.92 -52.52 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.24 -51.6 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.33 -40.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -82.08 -50.78 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.1 t -46.15 -54.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.86 -60.15 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -52.67 25.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.438 ' CD1' ' OE1' ' A' ' 25' ' ' GLN . 27.1 tp -45.07 -52.61 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -57.87 -31.0 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.57 -23.32 50.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.79 -25.33 58.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -30.05 61.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -87.99 -36.12 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.79 -32.71 73.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.452 ' C ' ' CD2' ' A' ' 56' ' ' LEU . 1.9 tt -72.78 -68.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.04 -60.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.0 t -41.98 -44.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.94 -58.6 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -50.22 -33.45 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.65 14.36 23.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 6.9 mmtp -71.26 -59.92 3.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.3 Cg_endo -69.72 2.85 3.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -99.08 -58.09 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -48.71 -37.02 17.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 12' ' ' PRO . 88.0 mt -38.56 -64.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -42.77 -48.45 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.8 -56.51 21.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.39 -50.99 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.3 mtm -41.37 -52.21 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -56.29 -37.96 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' CB ' HD23 ' A' ' 52' ' ' LEU . 49.8 mm-40 -59.43 -47.66 84.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.3 t -56.98 -48.96 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.2 m -65.84 -57.5 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -52.08 -49.9 62.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 41.7 tp60 -59.34 -52.37 65.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.21 -43.42 7.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -68.23 -47.24 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.9 mt -58.58 -40.1 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.4 t -68.93 -40.48 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -67.38 -49.96 61.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -64.88 -39.72 93.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 12.0 mt -50.74 -48.4 59.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -68.66 -43.52 76.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.27 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' A' ' 36' ' ' LYS . 32.8 mt-30 -89.32 27.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER 30.62 47.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.67 171.85 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -55.74 127.82 31.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -45.6 38.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -58.67 -51.08 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -54.7 -45.99 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -58.55 -51.82 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.54 -52.78 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.51 -44.62 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' A' ' 32' ' ' LEU . 5.5 mm-40 -69.41 -41.82 75.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -46.03 -56.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.5 -60.41 2.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -50.71 -64.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' LEU . 32.6 tp -41.1 -60.47 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -39.56 -38.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.93 -34.73 51.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 49' ' ' LEU . 65.1 mt -62.9 -8.29 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -31.6 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 7.7 ptpt -90.81 -38.26 13.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -65.75 -38.32 88.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.41 ' C ' HD13 ' A' ' 56' ' ' LEU . 2.5 tm? -59.3 -67.0 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.14 -51.36 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 54' ' ' LYS . 76.7 t -45.96 -57.46 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.66 -46.78 67.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -58.17 -39.54 79.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.46 29.85 4.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.905 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB2' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 7.2 tppt? -62.82 -59.38 12.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.1 Cg_endo -69.71 3.39 2.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 23.0 tt0 -99.61 -54.8 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -50.63 -36.29 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 12' ' ' PRO . 64.8 mt -43.12 -48.56 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -55.2 -48.94 73.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.18 82.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt -55.64 -49.01 74.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.4 mtm -54.71 -32.31 59.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -71.67 -59.13 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.87 -47.79 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -54.71 -55.09 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.1 m -53.71 -59.73 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -42.79 -45.53 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -53.0 -61.44 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.99 -45.1 2.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -63.21 -50.72 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.6 mt -46.63 -51.02 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.03 -45.18 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -59.45 -37.24 77.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.21 -44.05 93.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 18.1 mt -56.74 -57.64 11.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -56.05 -35.13 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.27 -36.5 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' LYS . 45.6 mt-30 -97.28 24.26 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' GLN . 61.5 mttm 38.4 44.62 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 172.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.92 131.13 42.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -45.91 -54.03 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -49.45 -44.59 45.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.57 -55.03 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 32' ' ' LEU . 37.4 t -53.49 -47.15 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.36 -49.67 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.65 -46.72 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -67.35 -45.97 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.9 t -48.48 -65.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.09 -51.22 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -53.46 -54.56 35.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.9 tp -40.21 -48.42 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.0 mt -47.83 -59.88 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.415 ' OD1' ' NE2' ' A' ' 55' ' ' GLN . 4.4 t0 -53.67 -32.4 51.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.5 mt -73.93 -35.61 64.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -75.57 -30.71 59.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -83.63 -33.63 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.415 ' NE2' ' OD1' ' A' ' 51' ' ' ASP . 8.4 mt-30 -68.57 -43.93 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.414 HD13 ' C ' ' A' ' 56' ' ' LEU . 1.5 tm? -52.11 -65.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.47 -54.26 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.0 -53.27 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.54 -49.3 56.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -64.41 -41.49 96.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.7 -36.34 0.92 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.871 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.843 0.354 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 9.9 tptp -61.11 -59.87 12.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.76 -9.85 27.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.276 . . . . 0.0 112.309 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -90.74 -55.22 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -45.69 -24.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.1 mt -54.29 -56.25 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -52.91 -46.5 68.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.2 -48.47 78.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' GLU . 12.9 mt -51.98 -56.3 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.8 mtm -38.88 -42.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.79 -42.39 95.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' LEU . 6.1 mm-40 -61.74 -48.9 78.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -54.64 -41.98 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.8 m -66.08 -58.79 4.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' GLN . 22.1 tttm -57.28 -59.53 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' NE2' ' HD2' ' A' ' 48' ' ' LYS . 28.0 tp60 -36.23 -61.34 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.16 -57.15 5.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -47.56 -52.89 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -50.43 -43.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.54 -44.82 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -50.16 74.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 9.0 pt-20 -65.57 -39.1 91.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 13.9 mt -49.27 -51.62 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -61.83 -43.94 97.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.11 73.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.101 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' LYS . 23.4 mt-30 -87.14 26.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' GLN . 27.2 mttm 35.85 41.87 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.45 156.16 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.63 131.15 49.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -49.32 -41.66 39.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.44 -49.99 74.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.87 -42.43 89.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.79 -49.72 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.86 -52.74 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.49 -47.61 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -67.25 -46.26 74.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.4 t -56.45 -40.92 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.31 -49.04 70.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HD2' ' NE2' ' A' ' 25' ' ' GLN . 7.3 ptpp? -72.0 -30.14 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 23.4 tp -66.8 -51.99 49.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.43 -42.9 44.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -57.46 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 43.8 mt -42.85 -34.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -60.42 -40.37 90.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 6.6 pttp -80.59 -36.47 32.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 16.4 mt-30 -60.53 -47.31 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 56' ' ' LEU . 1.4 tm? -56.85 -67.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.58 -62.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.2 t -49.47 -52.61 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.15 -62.24 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -51.14 -40.19 57.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.09 27.18 5.46 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 0.0 110.864 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.822 0.344 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 14.2 mtmm -71.52 -59.97 2.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.532 0.682 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.75 2.86 3.15 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -110.72 -46.06 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 5.9 pt20 -57.58 -44.28 85.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 70.2 mt -40.71 -59.28 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -46.84 -47.1 21.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.8 -59.31 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 mt -46.49 -51.09 16.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.7 mtm -41.22 -54.75 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -56.75 -43.9 81.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -56.78 -48.83 77.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.5 t -52.38 -45.25 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.9 m -67.44 -61.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -45.87 -48.87 15.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' OE1' ' C ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -44.37 -64.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.57 -37.65 3.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -72.82 -43.71 62.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.2 mt -56.76 -42.29 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.435 ' CG2' ' OE1' ' A' ' 25' ' ' GLN . 88.9 t -66.38 -41.68 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -60.28 -49.81 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 21.0 pt-20 -65.97 -44.51 84.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 11.8 mt -46.43 -46.11 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -68.57 -43.48 76.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.51 70.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -88.03 26.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt 40.37 41.81 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.4 150.39 49.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.0 136.15 19.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -48.9 -58.83 4.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -52.76 -50.53 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -50.37 -53.06 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -54.86 -47.89 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.7 71.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.91 -47.06 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.26 -43.41 64.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -43.24 -55.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.82 -56.31 23.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -46.77 -45.97 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.425 ' HB2' ' CD ' ' A' ' 25' ' ' GLN . 23.4 tp -49.86 -50.89 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -42.91 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -62.29 -49.03 77.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 mt -48.79 -50.28 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -46.13 -42.69 14.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' LEU . 37.2 mttp -68.29 -65.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -42.82 -23.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.7 tm? -84.55 -66.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.59 -58.19 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.6 t -44.12 -35.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.65 -43.6 46.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' CG ' HG23 ' A' ' 15' ' ' ILE . 23.4 mt-10 -84.42 26.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 40.18 46.69 3.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.84 0.353 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.634 ' CB ' ' CD ' ' A' ' 12' ' ' PRO . 2.0 mptm? -95.79 -70.6 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.75 -26.14 27.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -78.9 -51.61 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 5.4 pt20 -49.26 -27.14 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 12' ' ' PRO . 96.1 mt -46.94 -49.16 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -54.4 -34.06 60.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.55 -47.7 38.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' MET . 25.8 mt -59.58 -57.67 11.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 19.4 mtp -36.07 -57.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -49.27 -47.19 46.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -50.8 -51.28 52.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.57 -34.67 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.9 m -75.44 -61.61 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -50.63 -57.51 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.468 ' CG ' HD11 ' A' ' 49' ' ' LEU . 41.4 tp60 -39.97 -50.17 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.99 -49.33 55.81 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -56.62 -47.23 80.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.6 -60.7 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -44.48 -47.82 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CD ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -54.36 -47.32 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' OE1' ' CD ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -60.2 -39.45 86.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 24.9 mt -68.78 -47.88 65.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -65.67 -22.89 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.32 -16.61 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -110.13 15.56 22.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt 43.18 28.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.64 159.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.35 136.83 43.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -55.33 -40.81 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -53.13 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.47 -53.2 60.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 32' ' ' LEU . 61.4 t -56.6 -51.61 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' VAL . . . -37.48 -56.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.5 -48.47 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.36 -42.64 83.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.2 t -53.31 -55.97 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.72 -63.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.456 ' CE ' ' OE1' ' A' ' 25' ' ' GLN . 21.0 tttt -39.32 -41.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD11 ' CG ' ' A' ' 25' ' ' GLN . 63.7 tp -64.04 -55.77 19.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.09 -20.92 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.92 -46.39 8.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.4 mt -48.0 -28.65 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -64.3 -36.57 84.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 4.1 pttp -81.24 -37.48 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.441 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 17.3 mt-30 -64.75 -47.62 77.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -55.09 -67.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.21 -65.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t -39.89 -58.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -37.55 -48.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -74.54 -41.05 61.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.23 14.12 9.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 pttm . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -45.9 -59.71 4.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.56 0.695 . . . . 0.0 110.873 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ILE . 5.2 tp-100 -105.24 -67.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' GLN . 14.4 pt20 -37.33 -29.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 13' ' ' GLN . 71.1 mt -52.52 -58.47 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -52.42 -42.15 63.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.3 70.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.415 ' CB ' HD22 ' A' ' 56' ' ' LEU . 15.2 mt -52.56 -49.04 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.464 ' N ' HD21 ' A' ' 56' ' ' LEU . 10.2 mtm -44.18 -49.85 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.06 -42.77 95.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -55.59 -44.85 77.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.92 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.3 m -59.72 -57.25 13.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.177 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 14.8 ttmm -53.79 -60.14 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.486 ' CD ' ' NZ ' ' A' ' 48' ' ' LYS . 8.3 tp60 -46.5 -55.04 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.56 -35.78 5.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.98 -52.5 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.407 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 92.1 mt -49.3 -34.27 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.17 -40.25 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -70.54 -51.63 27.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.74 -38.61 82.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.39 -47.93 69.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -69.43 -37.29 77.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.42 85.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -87.82 23.41 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 44.14 44.37 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.51 171.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.422 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 8.9 t0 -66.07 130.0 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -48.61 -57.16 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -49.55 -49.18 47.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 7.6 mm-40 -53.73 -55.44 26.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ALA . 63.5 t -56.52 -55.48 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' VAL . . . -35.91 -59.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.39 -58.61 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.92 -30.71 25.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.3 t -78.72 -41.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.01 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' NZ ' ' CD ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -71.97 -41.29 67.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 tp -53.22 -52.95 57.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -42.43 -41.95 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 -47.7 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.3 mt -44.42 -45.85 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.69 -42.17 45.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 56' ' ' LEU . 17.7 mttm -69.17 -64.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -42.95 -24.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 HD21 ' N ' ' A' ' 19' ' ' MET . 2.0 tm? -86.45 -68.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.23 -48.1 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.71 -50.86 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.86 -53.91 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -66.86 -45.89 76.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.41 -33.69 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.866 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -89.76 129.18 36.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -131.79 146.92 52.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.87 -87.58 0.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -144.61 152.64 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.873 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -113.91 43.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.58 -174.74 38.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -109.14 156.62 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 111.119 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 t -109.33 143.97 38.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . -153.17 159.67 42.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -67.85 -60.1 5.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.75 -12.29 32.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 23.5 mm-40 -85.42 -61.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -46.42 -40.66 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.3 mt -48.58 -53.79 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -52.17 -36.47 51.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.55 -42.62 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 21' ' ' GLU . 87.9 mt -59.23 -57.35 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LEU . 22.4 mtm -36.09 -51.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.17 -40.64 77.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 18' ' ' LEU . 5.2 mm-40 -62.53 -46.24 89.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.1 t -53.6 -39.49 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.9 m -72.65 -58.33 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 62.4 tttt -50.89 -48.74 60.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -52.77 -63.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.63 -40.02 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -71.51 -51.2 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.425 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 54.4 mt -50.86 -39.49 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.78 -34.64 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -66.17 -46.99 75.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.98 -37.22 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.7 mt -54.55 -49.03 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -73.39 -29.17 62.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -19.61 62.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -110.99 16.94 20.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm 53.04 45.66 28.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 152.5 30.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.47 132.16 47.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -46.04 -38.0 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -68.79 -46.55 68.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -59.63 -41.79 91.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.11 -53.95 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.18 -48.66 9.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.69 -60.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -63.34 -46.51 86.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -40.19 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.51 -52.48 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -49.41 -46.9 48.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.57 -56.2 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.9 mt -48.93 -30.12 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.04 -42.76 25.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 50.2 mt -53.4 -52.51 59.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -46.97 -41.39 16.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -72.49 -60.33 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -47.96 -21.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.06 -57.3 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.66 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 34.7 t -51.12 -52.82 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.7 -49.34 28.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.59 -45.28 91.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.73 -33.05 1.08 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -64.7 144.1 98.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 148.61 65.16 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.8 Cg_endo -69.8 110.27 2.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.336 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' PRO . 18.6 mt-10 34.54 44.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.504 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . . . -55.43 -64.09 2.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.73 -37.03 9.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.39 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -76.2 130.53 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.87 142.96 1.18 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -87.01 -49.16 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -51.31 43.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -67.49 99.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -99.83 151.37 21.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.7 p -42.03 -51.68 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 42.66 74.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 161.91 44.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.5 p -81.45 149.09 28.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.2 t -117.16 -56.21 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m -55.26 114.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -42.17 -50.83 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.83 58.01 1.89 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 m -143.54 176.87 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -50.0 126.12 13.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.08 167.72 38.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -121.08 141.62 50.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.164 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.5 p -92.94 157.01 16.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 13' ' ' GLN . . . -157.51 152.52 25.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 24.2 mmtt -64.53 -60.04 9.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.73 1.62 4.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 15.9 tt0 -104.63 -35.53 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -71.25 -28.73 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 75.3 mt -54.38 -61.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -43.79 -40.45 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.41 69.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.1 mt -58.44 -49.45 77.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.8 mtm -46.3 -51.8 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -54.19 -39.09 66.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.75 -53.44 40.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.3 t -52.26 -42.14 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.8 m -71.13 -58.85 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 11.3 ttmm -53.19 -60.24 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -43.13 -50.83 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.01 -41.31 52.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -76.57 -12.98 60.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.405 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 95.8 mt -91.75 -35.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.56 -26.12 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' CG ' ' N ' ' A' ' 31' ' ' GLU . 8.8 ptm180 -72.23 -51.3 21.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 10.5 pt-20 -59.39 -38.63 81.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 mt -51.94 -60.27 3.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -56.01 -36.63 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -26.91 63.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 37' ' ' ALA . 35.9 mt-30 -95.43 25.68 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' GLN . 9.8 pttp 34.56 34.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . -57.28 155.07 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -50.77 123.21 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -28.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.25 -39.03 60.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.6 -40.14 84.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.0 t -68.04 -51.6 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.93 -52.62 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.6 -50.17 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.2 -46.17 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -51.3 -58.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.57 -52.06 11.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -60.17 4.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.7 tp -42.56 -48.98 5.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -54.29 -39.31 66.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.14 -19.51 56.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.2 mt -80.05 -15.15 57.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -84.0 -27.82 28.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -88.84 -35.72 16.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -65.51 -33.97 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -63.78 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.98 -47.47 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.3 t -61.42 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.14 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.074 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -75.63 -30.57 59.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.62 27.58 26.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -106.75 143.95 28.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 148.72 65.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.9 Cg_endo -69.74 110.43 2.55 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' PRO . 5.9 mm-40 34.92 51.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.532 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . . . -63.18 -65.54 2.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.563 0.696 . . . . 0.0 111.097 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.8 -50.38 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -115.14 107.61 15.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -158.41 -168.71 21.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -57.72 172.4 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -101.18 137.37 39.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 71' ' ' LYS . 26.7 mmtp -37.04 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -92.86 118.08 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.5 t -128.64 137.82 51.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.17 173.96 17.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -32.53 18.39 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.1 p -93.76 -178.92 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.3 t -148.07 154.19 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -92.01 110.53 21.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -84.38 -44.54 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.84 -173.52 17.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -56.25 106.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 m -67.53 108.75 2.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.98 -59.64 0.53 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.435 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -95.68 143.34 27.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 10' ' ' ALA . 24.6 m -145.73 147.46 31.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' N ' HG21 ' A' ' 9' ' ' THR . . . -139.89 168.55 19.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 6.7 mptt -71.09 -59.93 3.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.545 0.688 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.79 0.19 6.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -106.38 -53.22 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 15' ' ' ILE . 10.5 pt20 -52.02 -33.32 38.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 14' ' ' GLN . 57.5 mt -35.4 -44.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -67.07 -49.24 65.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.57 -34.9 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 20' ' ' ASP . 17.7 mt -72.71 -63.04 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 36.9 mtm -41.99 -25.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.9 t70 -74.41 -56.58 4.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -63.49 -38.75 92.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.61 -48.71 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -49.27 -56.21 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -56.1 -38.16 70.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.422 ' OE1' ' C ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -49.58 -69.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.86 -34.11 10.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -66.99 -35.59 80.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -70.62 -40.25 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.26 -34.78 68.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 ttm-85 -68.4 -53.62 22.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.14 -40.16 92.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 11.4 mt -55.3 -55.25 33.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -63.17 -40.55 97.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.88 -23.31 66.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -99.98 23.59 9.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.42 37.55 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.58 158.59 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' HB3' ' CB ' ' A' ' 41' ' ' GLU . 6.3 t0 -57.21 118.88 5.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -38.46 -50.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -66.06 -40.83 91.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 4.9 tp10 -61.41 -28.83 69.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -75.3 -37.91 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.83 -51.02 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.85 -43.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' HG3' ' CD1' ' A' ' 32' ' ' LEU . 45.4 mm-40 -75.69 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.1 t -46.96 -25.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.79 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -82.27 -23.0 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -72.47 -36.75 68.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.91 -42.07 88.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.51 -46.42 54.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.9 mt -48.48 -53.47 17.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -40.78 -45.34 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -69.58 -65.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -41.84 -27.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.71 -65.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.91 -54.17 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.4 t -52.56 -46.5 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.83 -41.1 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.0 -45.32 92.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.77 -36.0 0.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -43.91 145.12 1.31 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.71 67.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -163.93 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' ALA . 1.2 mp0 -75.93 52.91 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.465 ' N ' ' HD2' ' A' ' 67' ' ' PRO . . . -34.0 -60.98 0.44 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 66' ' ' ALA . 53.0 Cg_endo -69.77 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.71 2.274 . . . . 0.0 112.313 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -86.02 59.59 5.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.89 44.53 1.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -48.16 125.71 9.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -119.22 122.82 42.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -107.1 -57.86 2.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -138.82 169.81 17.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 m -114.46 158.71 21.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.84 83.37 0.34 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 178.32 4.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.393 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.8 m -97.28 -53.14 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.7 p -51.66 133.07 31.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -87.5 134.71 33.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t 42.74 41.45 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.63 64.32 0.57 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -89.98 91.73 8.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 t -60.77 -40.86 94.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.95 -39.22 1.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -71.32 151.66 43.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 m -120.64 96.64 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.62 161.99 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -64.28 -59.97 9.72 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.78 -6.39 18.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -96.92 -57.67 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 10.1 pt20 -45.26 -29.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CG2' ' SD ' ' A' ' 19' ' ' MET . 73.5 mt -42.19 -58.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -50.86 -52.65 39.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.25 -22.32 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 25.5 mt -88.07 -54.73 4.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.46 ' SD ' ' CG2' ' A' ' 15' ' ' ILE . 30.0 mtp -47.63 -42.42 24.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -58.58 -62.87 1.53 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 8.6 pt-20 -52.88 -45.19 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -53.37 -40.13 38.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.5 m -68.14 -61.16 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -49.64 -52.56 29.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' NE2' ' HB3' ' A' ' 45' ' ' GLU . 31.7 tp60 -45.01 -58.48 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.97 -52.85 9.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -52.99 -49.47 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -54.43 -39.73 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -68.55 -42.06 83.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.58 -50.32 74.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.34 -41.11 96.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -53.1 -40.39 64.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -72.63 -40.01 66.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.34 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.6 pt20 -96.04 23.44 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER 33.99 41.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.31 161.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.72 119.21 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -39.51 -68.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 0.5 OUTLIER -40.1 -52.88 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -54.19 -53.65 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.8 t -52.89 -49.85 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.05 -42.91 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.91 -49.83 15.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' HB3' ' NE2' ' A' ' 25' ' ' GLN . 5.5 mm-40 -74.61 -45.06 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.8 t -45.38 -66.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -48.54 -45.51 37.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -56.0 -52.03 65.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.38 -46.39 80.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.9 mt -51.4 -24.24 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -88.44 -43.1 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.2 mt -52.2 -20.61 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -74.53 -31.62 62.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 2.9 ptmt -81.76 -36.66 28.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -69.41 -41.96 75.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.16 -65.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.32 -59.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 54' ' ' LYS . 95.7 t -47.61 -56.05 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.76 -41.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.47 -41.98 31.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.05 -3.33 3.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.3 144.67 97.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 153.49 68.72 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' ALA . 23.7 mt-10 -75.99 51.9 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.559 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . . . -34.0 -67.21 0.21 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.699 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.559 ' CD ' ' CB ' ' A' ' 66' ' ' ALA . 53.2 Cg_endo -69.8 -50.64 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -59.66 111.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.73 103.26 2.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -81.13 124.72 29.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 48.12 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -141.34 147.8 38.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 157.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 t -156.92 150.14 24.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.5 81.3 0.31 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 91.53 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -135.64 152.04 50.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -133.58 159.84 39.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -84.7 42.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.872 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -151.69 133.02 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.78 64.03 0.31 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.531 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -77.82 124.74 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.821 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -82.35 162.2 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.69 -68.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -95.72 139.16 32.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 111.148 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -76.58 116.55 17.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . -127.04 152.56 47.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 2.4 mmmp? -67.78 -60.01 5.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.7 -1.27 8.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 60.9 mt-30 -104.81 -43.05 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -59.19 -26.72 65.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.3 mt -45.31 -58.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -49.94 -56.69 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.17 -37.89 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.0 mt -70.51 -54.72 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.9 mtm -50.11 -26.59 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -73.69 -57.16 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.482 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 17.9 pt-20 -61.48 -40.44 94.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.62 -52.5 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -51.91 -56.19 15.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 25.2 ttpt -52.1 -58.3 6.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.442 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 32.2 tp60 -56.5 -35.07 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.51 -54.72 18.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.473 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 24' ' ' LYS . 1.3 p30 -61.33 -35.62 77.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.448 HD13 ' CG ' ' A' ' 24' ' ' LYS . 70.5 mt -62.81 -40.42 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.7 t -67.01 -35.42 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 ttp85 -67.51 -49.03 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 14.2 pt-20 -62.68 -42.22 99.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 15.9 mt -50.76 -52.14 43.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.45 -46.91 83.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.27 70.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 31.8 mt-30 -89.28 26.58 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' GLN . 8.9 ptmm? 34.31 42.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.65 155.19 38.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -53.27 132.05 38.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -46.63 -52.34 13.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -56.63 -46.45 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -59.09 -46.27 88.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.5 t -66.41 -39.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -56.3 -59.26 5.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -37.18 -38.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -75.57 -45.76 35.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.8 -40.61 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.31 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' HD2' ' NE2' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -74.1 -29.43 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 9.6 tp -67.24 -50.2 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.7 mt -46.93 -41.79 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -68.84 -41.14 78.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' OE2' ' A' ' 21' ' ' GLU . 22.1 mt -56.03 -34.34 65.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -55.04 -42.53 72.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' LEU . 75.9 mttt -68.38 -60.89 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -43.34 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -87.15 -67.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.17 -53.2 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.89 -43.94 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.22 -60.5 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.78 -37.23 78.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.413 ' C ' ' HE2' ' A' ' 62' ' ' LYS . . . 112.71 25.6 4.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HE2' ' C ' ' A' ' 61' ' ' GLY . 6.2 mmpt? -92.87 143.94 27.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.586 0.707 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 146.06 59.42 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -175.18 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.402 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -40.58 -45.84 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 66.91 54.03 0.77 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.76 161.88 44.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -90.33 121.3 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.45 82.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.445 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -73.14 -36.02 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -81.1 48.8 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -44.98 -51.05 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -107.15 150.9 26.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 t -86.07 111.66 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.63 -171.79 22.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 103.99 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.1 p -130.73 154.73 47.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.1 p -167.5 175.31 7.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' GLY . 46.8 m -38.63 114.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -141.21 126.22 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.65 121.26 1.01 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -76.61 101.12 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -87.39 88.2 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.06 57.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.9 p -108.71 173.38 6.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.8 m -98.94 101.46 12.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.68 155.97 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -71.33 -59.96 2.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.908 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 52.9 Cg_endo -69.79 2.09 3.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -101.67 -53.26 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 9.5 pt20 -53.01 -40.13 63.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 79.4 mt -40.47 -62.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -45.18 -44.02 10.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.38 81.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.042 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.514 ' CD1' ' CB ' ' A' ' 59' ' ' ALA . 16.4 mt -60.16 -64.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.5 mtm -41.75 -36.44 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.09 -59.57 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 9.1 pt-20 -59.65 -39.74 85.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.411 ' CG2' HD21 ' A' ' 56' ' ' LEU . 96.6 t -56.29 -39.89 62.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.8 m -71.7 -59.06 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 13.0 ttpt -46.95 -42.66 18.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 51.9 tp60 -46.98 -58.29 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.06 -40.38 28.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 24' ' ' LYS . 25.5 m-20 -62.22 -43.62 98.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.92 -44.47 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.83 -37.6 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -70.19 -52.09 26.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -38.74 92.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.8 mt -53.35 -47.47 69.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -62.39 -44.74 95.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.32 -36.94 71.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -86.81 26.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 39.11 40.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.63 158.5 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.403 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 36.0 t70 -62.63 131.93 50.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -46.03 -50.89 14.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -56.72 -53.97 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 5.9 mm-40 -51.79 -49.75 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.82 -48.06 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.25 -41.87 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.79 -61.19 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' HB3' ' NE2' ' A' ' 25' ' ' GLN . 4.9 mm-40 -55.65 -36.14 66.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.6 t -57.39 -63.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.19 -52.41 44.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -54.31 -52.69 60.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp -52.91 -48.79 66.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.9 mt -45.9 -39.51 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' LYS . 84.2 m-20 -73.61 -50.17 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' CD2' ' OE2' ' A' ' 21' ' ' GLU . 38.0 mt -42.25 -36.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -60.34 -39.9 88.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -84.34 -34.93 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -65.67 -37.54 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 18' ' ' LEU . 1.4 tm? -63.01 -51.38 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.95 83.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.4 t -55.35 -54.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.514 ' CB ' ' CD1' ' A' ' 18' ' ' LEU . . . -45.05 -47.06 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.83 -43.64 75.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.91 -39.91 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -57.66 146.68 64.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.26 38.91 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.5 Cg_endo -69.76 -174.34 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' PRO . 26.1 mt-10 -35.47 -47.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 64.3 54.35 1.43 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.9 Cg_endo -69.76 -178.23 2.25 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -85.61 159.74 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 155.82 -81.75 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -125.32 40.42 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.22 154.23 28.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -124.97 -36.73 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' LYS . 5.8 ptmm? 33.86 40.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 t -42.69 -51.32 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.12 -161.66 3.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.35 4.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.217 . . . . 0.0 112.382 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.4 p -56.21 148.68 17.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.5 p -96.67 -50.68 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -163.97 149.1 10.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.822 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -47.3 -44.34 23.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.01 68.56 0.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -70.65 -55.32 9.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.881 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -70.95 98.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.8 -104.9 2.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 p -86.25 38.3 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.3 p -99.23 -50.24 4.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.18 141.03 28.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.085 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 31.9 mmtt -63.72 -59.97 10.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.55 0.691 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.4 Cg_endo -69.78 -0.21 6.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.9 tp60 -103.1 -47.68 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 12.4 pt20 -57.97 -31.88 67.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.445 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 87.0 mt -44.13 -61.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 5.9 tp60 -46.5 -48.42 19.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.16 83.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 56' ' ' LEU . 28.0 mt -50.17 -55.32 15.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.3 mtm -52.83 -41.12 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -62.45 -50.29 72.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -48.46 -56.12 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -44.22 -42.69 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 m -63.24 -67.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 4.0 tppt? -54.93 -63.83 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -48.36 -35.29 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.7 -49.83 57.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 28' ' ' ILE . 3.4 p30 -69.7 -33.74 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.5 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 12.0 mt -60.27 -42.52 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.69 -44.18 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -57.71 -50.5 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 17.0 pt-20 -61.91 -42.19 98.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 13.2 mt -47.62 -52.23 18.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -63.96 -38.56 91.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.29 91.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.132 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -85.77 27.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? 44.22 48.06 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.48 166.72 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.41 130.69 41.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -48.97 -46.46 43.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -47.96 83.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.6 -50.57 73.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.8 t -57.23 -45.25 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.74 -49.61 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.19 -54.49 6.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.24 -45.8 83.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 81.9 t -47.28 -59.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.4 -56.9 10.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -49.58 -54.49 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.9 tp -47.43 -49.53 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -53.35 -42.78 67.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -62.83 -37.25 86.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 74.9 mt -63.23 -29.7 70.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -67.31 -36.63 81.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 1.1 ptmm? -87.56 -33.95 18.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.415 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 22.5 mt-30 -63.67 -41.0 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.444 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . 3.6 tt -63.6 -64.96 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.25 -53.84 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.1 t -48.85 -43.31 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.61 -57.49 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -53.03 -39.17 62.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.31 24.33 2.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 148.85 51.91 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 148.66 65.51 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.7 Cg_endo -69.74 -174.31 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.359 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 64' ' ' PRO . 2.7 pt-20 -34.35 -49.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.454 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 59.12 53.73 4.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.9 Cg_endo -69.73 -13.69 35.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -72.01 123.93 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.34 179.67 17.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 tptm 50.32 42.16 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -113.93 153.85 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -126.48 -58.82 1.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? 44.32 41.73 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -81.25 143.56 32.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.29 -92.08 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.16 6.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 0.0 112.39 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 t -86.39 176.54 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -65.15 171.66 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t -155.74 108.02 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -113.01 156.3 23.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.815 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.46 174.51 33.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -61.65 120.75 11.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -127.86 -50.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.46 -92.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.434 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.8 p 39.67 36.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 111.157 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m -85.63 120.99 27.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.96 156.23 48.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -65.96 -58.37 11.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.589 0.709 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.76 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -91.67 -46.63 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -57.83 -25.99 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.43 ' CD1' ' HA ' ' A' ' 12' ' ' PRO . 89.4 mt -45.15 -55.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -48.49 -47.31 38.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.47 -33.02 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 20' ' ' ASP . 36.9 mt -80.36 -62.91 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.1 mtm -39.8 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.5 t0 -77.5 -65.53 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.22 -47.36 75.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.2 t -49.6 -45.93 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.149 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.6 m -58.21 -61.51 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -48.08 -48.36 33.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -42.31 -57.14 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.32 -48.19 27.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.76 -45.59 91.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.1 mt -53.26 -41.63 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.69 -45.65 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -60.47 -47.62 85.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.79 -45.55 78.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.24 -55.33 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -58.68 -41.67 86.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.14 -22.89 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' LYS . 57.6 mt-30 -94.47 26.96 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' GLN . 17.0 pttm 37.83 40.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 160.8 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.53 140.28 54.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -52.09 -47.75 65.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -63.58 -44.15 94.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -46.94 72.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.8 t -67.62 -50.92 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.94 -44.69 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.33 -50.08 68.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -63.58 -47.74 80.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.1 t -49.9 -57.28 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.84 -43.2 65.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -62.21 -52.21 64.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.9 tp -41.95 -38.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.2 mt -59.96 -56.54 20.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -53.83 -29.73 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.6 mt -78.03 -30.26 49.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -76.26 -27.72 56.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -84.55 -34.45 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -73.16 -47.13 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -56.29 -48.5 76.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.25 37.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.24 -47.9 83.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.85 -49.28 8.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.3 -43.87 72.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.02 -40.12 0.86 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -66.99 144.41 98.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.93 64.62 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.7 Cg_endo -69.76 -175.49 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 64' ' ' PRO . 1.6 mp0 -35.66 -48.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 73.37 54.26 0.29 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.611 0.719 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.77 -47.73 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.99 42.75 28.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.36 166.97 12.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 71' ' ' LYS . 9.7 mmtp -81.02 143.6 32.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -43.03 166.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -57.21 4.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.1 pttm 41.63 37.51 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.7 m -70.25 139.59 52.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.02 148.9 6.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.31 23.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 m -75.64 122.01 23.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -111.54 -57.21 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.498 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -77.69 90.71 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -158.41 109.58 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.32 107.18 0.31 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -167.59 162.53 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.836 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -167.34 162.88 15.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.39 122.94 7.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -148.72 132.3 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 111.11 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.6 m -115.33 95.73 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB2' ' CB ' ' A' ' 13' ' ' GLN . . . -137.33 159.8 40.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -67.85 -59.97 5.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.921 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.71 2.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.405 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' CD ' ' C ' ' A' ' 13' ' ' GLN . 1.5 tm0? -105.05 -55.2 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 15.5 pt20 -50.06 -33.5 18.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 97.0 mt -47.26 -57.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -47.03 -56.3 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.37 -45.27 65.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.11 -58.91 6.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.2 mtm -44.63 -24.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -82.24 -65.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -55.92 -49.9 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.6 t -51.5 -47.81 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -64.96 -57.19 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -46.29 -47.79 18.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 38.3 tp60 -54.4 -50.23 68.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.38 -35.39 60.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' HA ' ' CD ' ' A' ' 30' ' ' ARG . 65.9 m-20 -73.42 -18.04 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.9 mt -85.09 -31.77 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.94 -37.99 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.462 ' CD ' ' HA ' ' A' ' 27' ' ' ASN . 15.7 ptm180 -56.57 -49.53 74.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 8.4 pt-20 -67.69 -37.77 82.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 15.8 mt -53.69 -47.53 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -73.0 -27.76 61.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.55 -6.07 54.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -116.42 26.72 9.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 mttm 40.67 34.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.75 171.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -72.14 131.5 42.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -45.5 -42.08 10.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -66.95 -47.4 71.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.74 -45.12 82.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.27 -60.61 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.45 -46.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.38 -56.83 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.4 -41.9 93.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' ALA . 95.9 t -52.7 -64.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -34.2 -43.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -73.15 -49.94 25.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.9 -48.86 60.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -55.06 -34.96 64.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -78.63 -23.81 45.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' CD1' ' HG2' ' A' ' 25' ' ' GLN . 36.9 mt -77.11 -23.58 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -73.35 -32.58 64.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 1.0 OUTLIER -83.16 -34.69 25.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 34.6 mt-30 -66.6 -38.52 87.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.18 -57.09 13.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.25 -46.71 72.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.1 t -53.47 -56.37 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.85 -53.02 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.68 -36.04 81.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.45 30.34 14.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -113.51 143.97 30.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 152.59 69.38 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -162.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -73.79 60.79 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.59 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . . . -45.45 -68.49 0.29 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.81 -51.19 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.694 2.262 . . . . 0.0 112.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -49.79 -57.46 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.966 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.29 -168.4 44.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -86.22 151.08 23.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -120.66 41.76 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -80.52 -54.7 5.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.21 154.82 20.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.5 p -128.72 143.11 50.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.25 80.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -25.86 28.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.2 m -135.58 164.89 26.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.2 t -76.9 126.83 31.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m 60.52 43.91 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t 38.89 41.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.04 124.22 5.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -60.43 117.17 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.83 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -130.13 176.69 7.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.793 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -137.67 -90.23 0.24 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.519 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.0 t 33.63 40.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.342 . . . . 0.0 111.116 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -56.71 167.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.88 157.21 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 13.8 mmtp -69.56 -60.01 4.28 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.558 0.694 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.8 -0.74 7.39 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -102.75 -47.59 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -56.85 -34.93 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.8 mt -52.31 -59.36 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -47.85 -34.06 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.2 -52.79 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.1 mt -54.47 -49.01 71.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.46 ' CG ' HD23 ' A' ' 56' ' ' LEU . 9.1 mtm -42.74 -49.54 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -65.08 -38.14 89.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.74 -47.21 83.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.29 -47.87 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.2 m -63.38 -53.74 47.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -57.98 -59.69 4.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -44.32 -46.1 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.74 -37.0 93.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -67.25 -41.04 86.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.91 -37.91 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.19 -40.69 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.74 -56.93 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 1.9 pp20? -58.62 -35.53 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.9 mt -57.83 -47.64 82.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -63.93 -43.22 96.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.55 71.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 31' ' ' GLU . 39.8 mt-30 -87.2 26.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt 40.8 43.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.19 155.74 36.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.05 132.23 53.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -47.89 -48.75 31.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -56.29 -42.95 78.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -61.07 -45.42 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -66.62 -52.8 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.34 -57.51 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.31 -54.32 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -55.54 -48.96 73.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.2 t -50.14 -58.03 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.14 -53.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -55.75 -54.55 43.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.4 tp -47.36 -50.42 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.4 -46.6 13.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.76 -54.47 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.5 mt -42.55 -40.28 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -48.81 -42.24 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER -77.79 -38.06 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.455 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 34.5 mt-30 -58.5 -26.94 63.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.46 HD23 ' CG ' ' A' ' 19' ' ' MET . 2.6 tm? -79.31 -62.66 1.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.91 -50.61 68.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.572 ' CG1' ' N ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -51.94 -47.24 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.572 ' N ' ' CG1' ' A' ' 58' ' ' VAL . . . -47.88 -45.81 30.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -72.17 -37.86 69.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.63 -18.72 4.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -65.31 143.91 98.87 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.553 0.692 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 148.48 64.88 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -173.71 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -46.5 -32.2 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 50.72 52.79 12.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.657 0.741 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.78 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.622 2.214 . . . . 0.0 112.34 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -173.94 141.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.88 97.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -122.02 149.21 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -50.49 110.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -156.45 135.75 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' LYS . 5.8 ptmm? -35.45 133.46 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -96.49 168.4 10.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -174.31 76.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -2.09 9.6 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -47.75 103.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.8 p 38.84 42.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t 66.03 42.28 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -72.28 128.28 35.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.33 68.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -128.94 112.59 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -121.05 94.84 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.01 104.53 2.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.484 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 8.9 t -51.76 133.83 31.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.893 0.378 . . . . 0.0 111.128 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.6 p -76.55 115.19 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' HB1' ' CB ' ' A' ' 13' ' ' GLN . . . -149.64 147.03 27.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 3.0 tptp -60.6 -59.54 13.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.553 0.692 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.79 -2.74 10.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 8' ' ' THR . 1.3 tm0? -97.01 -62.77 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -38.45 -26.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' GLN . 70.6 mt -42.51 -58.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -45.69 -38.76 7.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.2 -30.37 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.93 -56.1 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 40.2 mtm -50.55 -34.06 24.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.82 -56.19 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 11.3 pt-20 -62.79 -33.68 75.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.3 t -65.13 -55.71 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 m -48.55 -60.98 2.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.4 tttp -49.26 -54.4 17.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -42.88 -43.94 4.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.15 -40.41 98.5 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -71.29 -45.15 63.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.47 -45.61 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.2 -40.5 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -61.0 -45.12 96.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 8.6 pt-20 -72.1 -36.66 69.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 16.0 mt -54.83 -49.53 70.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -67.07 -40.63 87.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.22 -25.61 68.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -94.35 26.42 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.1 mttm 42.04 35.65 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.91 152.25 28.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -60.57 139.04 57.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -46.66 -46.4 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -58.13 -54.07 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -54.79 -45.79 74.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.76 -60.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -41.7 -49.58 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -37.34 -59.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.05 -47.36 74.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.7 t -44.25 -51.1 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.82 -50.82 55.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' ASP . 22.4 ttmt -56.75 -61.47 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 tp -40.71 -46.93 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -51.57 -39.35 57.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' LYS . 84.4 m-20 -74.99 -55.51 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.487 ' CD2' ' OE2' ' A' ' 21' ' ' GLU . 10.2 mt -45.84 -37.35 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -53.81 -42.16 68.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -77.21 -33.15 56.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 14.0 mt-30 -64.88 -44.7 88.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.56 -60.81 3.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.453 ' CB ' ' HD2' ' A' ' 62' ' ' LYS . . . -42.17 -62.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.9 t -51.87 -51.86 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.88 -45.55 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.15 -48.58 28.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.28 -22.55 2.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.45 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.453 ' HD2' ' CB ' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -76.15 152.57 84.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.64 26.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.236 . . . . 0.0 112.344 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -167.33 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.299 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -44.62 -30.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 53.84 53.55 10.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 54.3 Cg_endo -69.68 -169.26 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.364 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -97.06 109.05 21.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.3 120.82 3.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 150.44 30.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 72' ' ' LYS . 10.8 tmtt? -136.16 142.47 44.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 71' ' ' LYS . 1.7 mmpt? -123.95 158.98 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -159.96 107.49 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.2 t -133.88 148.85 51.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.05 -91.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 95.79 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.679 2.252 . . . . 0.0 112.343 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 t -70.18 -55.69 8.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.9 p -141.85 151.39 42.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -125.95 116.39 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -138.85 158.14 44.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.11 102.19 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 t -105.83 89.34 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 7' ' ' GLY . 25.5 m 59.82 34.48 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.07 66.62 0.33 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 t -158.82 145.14 16.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 0.0 111.148 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -136.26 147.29 47.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . -114.65 155.37 26.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -70.16 -59.99 3.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.8 -12.85 33.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.738 2.292 . . . . 0.0 112.34 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 33.1 mt-30 -91.55 -55.21 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 15' ' ' ILE . 19.2 pt20 -51.46 -48.4 62.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.438 ' N ' ' CG ' ' A' ' 14' ' ' GLN . 60.5 mt -40.81 -60.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -47.8 -40.04 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -46.45 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.588 ' CD1' ' CB ' ' A' ' 59' ' ' ALA . 18.9 mt -58.15 -56.65 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 36.1 mtm -39.91 -47.57 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -62.38 -46.19 89.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -50.4 -51.37 46.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.87 -53.07 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.9 m -49.57 -49.14 47.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -66.76 -51.71 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' NE2' ' HB3' ' A' ' 45' ' ' GLU . 14.6 tp60 -50.5 -59.1 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.59 -40.7 8.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -71.27 -40.21 71.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.12 -39.09 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.7 t -68.86 -38.55 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -62.14 -54.36 42.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.78 -42.5 97.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.5 mt -45.31 -49.59 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -65.3 -43.56 90.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -41.34 85.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -85.71 26.62 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.41 42.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.01 166.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.459 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 32.8 t0 -74.9 124.1 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -38.91 -53.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -58.68 -48.54 80.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 6.6 mm-40 -52.89 -49.44 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.92 -46.02 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.91 -41.11 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -56.08 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HB3' ' NE2' ' A' ' 25' ' ' GLN . 9.6 mm-40 -58.91 -34.65 71.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.15 -47.22 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.72 20.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -62.05 -35.27 78.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 52' ' ' LEU . 22.7 tp -64.12 -70.96 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' LEU . 94.9 mt -35.1 -34.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -81.95 -44.7 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.7 mt -52.98 -34.63 56.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -56.93 -42.42 79.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 4.5 ptmt -72.91 -33.05 65.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.458 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 31.3 mt-30 -68.7 -49.81 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.89 -52.14 44.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.32 -53.22 60.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 99.9 t -51.95 -55.57 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.588 ' CB ' ' CD1' ' A' ' 18' ' ' LEU . . . -42.35 -48.02 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -65.49 -43.4 90.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.93 -37.65 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -49.23 143.95 8.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 161.08 47.31 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.8 Cg_endo -69.79 -171.66 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' PRO . 27.5 mt-10 -34.96 -48.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.452 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 72.79 53.24 0.29 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.78 160.07 51.06 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -63.6 151.65 41.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.77 -44.6 1.09 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.445 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -102.89 122.03 43.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -62.1 84.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 73' ' ' LYS . 6.0 ptmm? -77.3 122.72 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -31.32 132.79 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.2 t -61.35 -47.11 87.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.07 82.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -44.79 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 97.0 p -113.88 107.6 15.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 62.9 p -117.38 115.47 25.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -86.38 -179.67 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -154.53 131.6 10.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.26 -175.84 21.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -119.24 41.38 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 m -110.64 107.39 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.08 156.86 2.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 p -107.32 39.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.4 p -97.46 107.11 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.24 134.41 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 13.4 mmtm -62.59 -59.94 11.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.78 -1.69 8.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.26 . . . . 0.0 112.356 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -100.79 -56.03 2.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -48.89 -44.02 39.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.1 mt -39.65 -57.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -51.92 -42.59 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.14 -54.8 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLU . 20.1 mt -51.95 -55.85 17.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' LEU . 19.7 mtp -36.26 -57.95 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.45 -42.84 54.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' LEU . 34.3 mm-40 -59.52 -52.85 63.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.5 -42.04 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.5 m -66.65 -57.85 6.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' GLN . 28.0 ttpt -57.38 -58.46 8.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.462 ' NE2' ' HD2' ' A' ' 48' ' ' LYS . 42.9 tp60 -37.97 -57.73 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.28 -40.4 29.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -67.01 -44.89 79.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 74.8 mt -51.51 -42.87 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -62.84 -41.87 94.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -61.95 -53.23 58.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.83 -39.96 93.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 12.5 mt -48.62 -58.45 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -53.13 -45.23 68.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.82 72.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -86.83 26.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt 41.49 42.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.12 143.67 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.11 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.58 135.35 56.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -44.6 -36.65 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.463 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 46.7 t30 -66.36 -48.51 69.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -54.57 -41.46 69.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.6 t -69.8 -47.05 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.18 -46.15 11.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.54 -60.42 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' ' 32' ' ' LEU . 41.0 mm-40 -53.7 -43.58 69.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.9 t -60.38 -49.02 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.84 -55.1 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD2' ' NE2' ' A' ' 25' ' ' GLN . 15.5 ptpt -62.29 -36.34 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 29.1 tp -58.57 -38.6 78.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.46 -45.5 91.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -70.04 -32.06 70.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -66.87 -31.47 72.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -67.99 -36.87 80.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 14.6 pttt -85.85 -35.69 20.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 6.5 mt-30 -60.06 -40.97 91.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.14 -56.22 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.36 -55.6 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.2 t -42.71 -60.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.22 -54.46 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -62.0 -36.17 80.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.55 31.08 6.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -102.31 161.38 23.52 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 110.34 2.53 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.4 Cg_endo -69.8 107.57 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.284 . . . . 0.0 112.313 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' PRO . 9.0 mm-40 33.87 33.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 64' ' ' PRO . . . -67.1 -60.99 5.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.557 0.694 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.77 -42.87 3.02 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.44 137.25 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.88 163.94 35.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 148.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -123.2 102.63 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -164.37 163.15 22.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.53 109.54 10.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.2 t -93.68 146.62 23.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.55 146.7 17.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 127.79 15.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.309 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -105.29 82.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.7 m -73.39 92.5 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -170.08 126.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -110.63 166.27 11.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.35 -168.12 30.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -83.0 -52.89 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -59.91 139.45 57.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.01 131.69 3.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -133.22 106.78 7.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.108 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -99.15 126.16 44.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.69 157.25 37.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -66.12 -59.96 7.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.948 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.3 Cg_endo -69.72 -0.88 7.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -99.69 -45.81 5.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -65.03 -35.96 82.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' LEU . 47.7 mt -47.26 -62.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -40.13 -41.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.61 -41.03 80.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' ILE . 44.3 mt -55.77 -45.53 78.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.4 mtm -55.52 -37.79 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -67.19 -48.61 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -47.26 -58.01 4.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -40.13 -45.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.2 m -58.35 -68.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -47.38 -51.77 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' OE1' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -51.18 -53.62 33.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.43 -45.93 29.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.97 -47.84 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.8 mt -48.56 -54.85 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -52.56 -48.8 46.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -51.85 -40.53 60.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.15 -45.44 84.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.3 mt -54.0 -57.93 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -66.62 -17.76 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.5 -25.93 24.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -111.46 15.46 21.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm 47.54 45.32 17.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.4 161.89 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -55.45 136.94 49.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -39.11 -54.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.61 -39.63 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -60.27 -41.18 92.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.92 -52.52 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.24 -51.6 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.33 -40.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -82.08 -50.78 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.1 t -46.15 -54.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.86 -60.15 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -52.67 25.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.438 ' CD1' ' OE1' ' A' ' 25' ' ' GLN . 27.1 tp -45.07 -52.61 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -57.87 -31.0 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.57 -23.32 50.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.79 -25.33 58.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -30.05 61.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -87.99 -36.12 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.79 -32.71 73.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.452 ' C ' ' CD2' ' A' ' 56' ' ' LEU . 1.9 tt -72.78 -68.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.04 -60.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.0 t -41.98 -44.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.94 -58.6 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -50.22 -33.45 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.65 14.36 23.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.73 151.84 68.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 110.22 2.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.3 Cg_endo -69.81 105.06 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' HG3' ' CB ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER 37.84 27.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.583 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . . . -69.8 -68.63 0.52 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.529 0.68 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.583 ' CD ' ' CB ' ' A' ' 66' ' ' ALA . 52.8 Cg_endo -69.78 2.76 3.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' CB ' ' HG3' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -67.32 -65.1 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -154.2 -58.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.559 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -55.94 144.8 27.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -149.42 135.97 19.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt 58.08 45.21 18.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -80.02 85.51 5.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.9 t -103.34 142.97 33.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.04 83.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.533 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 77' ' ' SER . 53.7 Cg_endo -69.79 -47.79 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.236 . . . . 0.0 112.331 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 76' ' ' PRO . 2.8 t 36.0 43.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.6 t -77.32 -62.37 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 44.9 t -35.18 110.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -79.34 -50.99 10.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.9 -168.11 27.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -170.64 165.91 8.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -75.99 119.97 20.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.62 122.57 7.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.5 p -60.98 158.43 13.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.0 p -68.54 86.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . -106.23 147.25 29.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 6.9 mmtp -71.26 -59.92 3.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.3 Cg_endo -69.72 2.85 3.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -99.08 -58.09 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -48.71 -37.02 17.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 12' ' ' PRO . 88.0 mt -38.56 -64.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -42.77 -48.45 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.8 -56.51 21.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.39 -50.99 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.3 mtm -41.37 -52.21 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -56.29 -37.96 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' CB ' HD23 ' A' ' 52' ' ' LEU . 49.8 mm-40 -59.43 -47.66 84.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.3 t -56.98 -48.96 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.2 m -65.84 -57.5 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -52.08 -49.9 62.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . 41.7 tp60 -59.34 -52.37 65.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.21 -43.42 7.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -68.23 -47.24 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.9 mt -58.58 -40.1 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 86.4 t -68.93 -40.48 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -67.38 -49.96 61.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -64.88 -39.72 93.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 12.0 mt -50.74 -48.4 59.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -68.66 -43.52 76.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.27 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' A' ' 36' ' ' LYS . 32.8 mt-30 -89.32 27.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER 30.62 47.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.67 171.85 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -55.74 127.82 31.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -45.6 38.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -58.67 -51.08 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -54.7 -45.99 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.4 t -58.55 -51.82 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.54 -52.78 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.51 -44.62 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' A' ' 32' ' ' LEU . 5.5 mm-40 -69.41 -41.82 75.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.6 t -46.03 -56.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.5 -60.41 2.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -50.71 -64.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 52' ' ' LEU . 32.6 tp -41.1 -60.47 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -39.56 -38.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.93 -34.73 51.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 49' ' ' LEU . 65.1 mt -62.9 -8.29 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -31.6 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 7.7 ptpt -90.81 -38.26 13.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -65.75 -38.32 88.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.41 ' C ' HD13 ' A' ' 56' ' ' LEU . 2.5 tm? -59.3 -67.0 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.14 -51.36 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 54' ' ' LYS . 76.7 t -45.96 -57.46 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.66 -46.78 67.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -58.17 -39.54 79.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.46 29.85 4.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -111.11 155.73 42.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 127.32 14.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.38 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -40.1 -45.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 58.43 54.23 5.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.76 125.16 11.83 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.303 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -71.97 154.47 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 70' ' ' LYS . . . 131.09 127.82 2.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 69' ' ' GLY . 1.0 OUTLIER -34.38 139.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -169.36 142.26 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -110.4 148.71 31.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -99.45 164.91 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m 55.44 44.13 27.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.18 156.68 22.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.11 4.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.288 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -45.93 126.02 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.8 t -87.13 -45.98 10.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 t -148.15 151.63 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -103.89 92.69 4.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.22 -142.01 6.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -103.56 106.96 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.835 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.5 p -76.3 143.32 40.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.4 -92.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.443 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.0 p -66.71 108.35 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.139 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -40.51 141.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB2' ' CB ' ' A' ' 13' ' ' GLN . . . -144.84 130.4 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 7.2 tppt? -62.82 -59.38 12.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.1 Cg_endo -69.71 3.39 2.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' CB ' ' HB2' ' A' ' 10' ' ' ALA . 23.0 tt0 -99.61 -54.8 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -50.63 -36.29 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 12' ' ' PRO . 64.8 mt -43.12 -48.56 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -55.2 -48.94 73.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.18 82.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.7 mt -55.64 -49.01 74.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.4 mtm -54.71 -32.31 59.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -71.67 -59.13 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.87 -47.79 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -54.71 -55.09 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.1 m -53.71 -59.73 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -42.79 -45.53 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -53.0 -61.44 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.99 -45.1 2.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -63.21 -50.72 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 78.6 mt -46.63 -51.02 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.03 -45.18 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -59.45 -37.24 77.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.21 -44.05 93.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 18.1 mt -56.74 -57.64 11.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -56.05 -35.13 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.27 -36.5 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' LYS . 45.6 mt-30 -97.28 24.26 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' GLN . 61.5 mttm 38.4 44.62 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.18 172.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.92 131.13 42.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -45.91 -54.03 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -49.45 -44.59 45.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.57 -55.03 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 32' ' ' LEU . 37.4 t -53.49 -47.15 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.36 -49.67 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.65 -46.72 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -67.35 -45.97 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.9 t -48.48 -65.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.09 -51.22 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -53.46 -54.56 35.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.9 tp -40.21 -48.42 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.0 mt -47.83 -59.88 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' OD1' ' NE2' ' A' ' 55' ' ' GLN . 4.4 t0 -53.67 -32.4 51.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.5 mt -73.93 -35.61 64.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -75.57 -30.71 59.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -83.63 -33.63 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.415 ' NE2' ' OD1' ' A' ' 51' ' ' ASP . 8.4 mt-30 -68.57 -43.93 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD13 ' C ' ' A' ' 56' ' ' LEU . 1.5 tm? -52.11 -65.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.47 -54.26 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 87.8 t -50.0 -53.27 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.54 -49.3 56.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -64.41 -41.49 96.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.7 -36.34 0.92 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -52.3 143.67 25.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.14 25.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.391 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -163.77 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 67' ' ' PRO . 56.0 mt-10 -78.27 46.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -26.48 91.1 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.53 ' N ' ' O ' ' A' ' 65' ' ' GLU . 53.6 Cg_endo -69.78 164.42 34.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -108.53 94.46 5.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.86 92.74 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 71' ' ' LYS . 18.3 pttp -130.04 156.67 44.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -34.55 144.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -40.57 134.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -40.24 130.77 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 t -79.17 129.3 34.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -114.87 66.57 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -176.99 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.258 . . . . 0.0 112.317 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.8 p -82.74 117.57 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 94.3 p -82.74 -35.68 26.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -46.09 152.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -52.85 -47.79 67.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.63 -103.03 1.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -112.97 177.05 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 m -57.44 -51.94 67.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.27 149.71 18.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.3 m -109.2 82.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 111.129 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 t -174.64 108.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -167.62 161.28 13.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 9.9 tptp -61.11 -59.87 12.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.76 -9.85 27.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.276 . . . . 0.0 112.309 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -90.74 -55.22 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -45.69 -24.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 90.1 mt -54.29 -56.25 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 50.7 tp60 -52.91 -46.5 68.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.2 -48.47 78.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' GLU . 12.9 mt -51.98 -56.3 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.8 mtm -38.88 -42.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.79 -42.39 95.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' LEU . 6.1 mm-40 -61.74 -48.9 78.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -54.64 -41.98 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.8 m -66.08 -58.79 4.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' GLN . 22.1 tttm -57.28 -59.53 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' NE2' ' HD2' ' A' ' 48' ' ' LYS . 28.0 tp60 -36.23 -61.34 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.16 -57.15 5.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -47.56 -52.89 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -50.43 -43.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.54 -44.82 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -50.16 74.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 9.0 pt-20 -65.57 -39.1 91.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 13.9 mt -49.27 -51.62 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -61.83 -43.94 97.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.11 73.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.101 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' LYS . 23.4 mt-30 -87.14 26.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' GLN . 27.2 mttm 35.85 41.87 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.45 156.16 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.63 131.15 49.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -49.32 -41.66 39.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.44 -49.99 74.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.87 -42.43 89.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.79 -49.72 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.86 -52.74 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.49 -47.61 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -67.25 -46.26 74.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.4 t -56.45 -40.92 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.31 -49.04 70.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HD2' ' NE2' ' A' ' 25' ' ' GLN . 7.3 ptpp? -72.0 -30.14 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 23.4 tp -66.8 -51.99 49.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.43 -42.9 44.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -57.46 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 43.8 mt -42.85 -34.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -60.42 -40.37 90.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 6.6 pttp -80.59 -36.47 32.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.407 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 16.4 mt-30 -60.53 -47.31 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 56' ' ' LEU . 1.4 tm? -56.85 -67.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.58 -62.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.2 t -49.47 -52.61 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.15 -62.24 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -51.14 -40.19 57.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.09 27.18 5.46 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -102.11 161.01 24.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.03 52.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.308 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -164.28 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.533 ' O ' ' C ' ' A' ' 66' ' ' ALA . 1.3 mp0 -77.85 46.76 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -26.5 91.09 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.52 ' N ' ' O ' ' A' ' 65' ' ' GLU . 53.9 Cg_endo -69.76 2.16 3.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -116.69 159.76 21.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.71 -135.38 7.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.51 44.85 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.61 -57.74 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -110.23 155.21 22.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 74' ' ' SER . 33.9 ttpt -76.66 159.3 30.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.448 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 1.8 m -117.35 130.13 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.37 67.3 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 77' ' ' SER . 54.3 Cg_endo -69.7 1.26 4.55 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.326 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 76' ' ' PRO . 35.5 m -35.94 -54.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.1 p -135.5 122.52 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -110.66 85.1 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -157.88 142.15 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.8 -100.42 0.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -151.88 139.07 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.916 0.389 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -136.62 150.96 48.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.57 -41.41 0.32 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.1 m -108.76 148.96 29.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 0.0 111.14 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.8 m -78.71 117.11 19.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.89 134.91 33.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 14.2 mtmm -71.52 -59.97 2.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.532 0.682 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.75 2.86 3.15 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -110.72 -46.06 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 5.9 pt20 -57.58 -44.28 85.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 70.2 mt -40.71 -59.28 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -46.84 -47.1 21.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.8 -59.31 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 mt -46.49 -51.09 16.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.7 mtm -41.22 -54.75 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -56.75 -43.9 81.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -56.78 -48.83 77.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.5 t -52.38 -45.25 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.9 m -67.44 -61.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -45.87 -48.87 15.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' OE1' ' C ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -44.37 -64.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.57 -37.65 3.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -72.82 -43.71 62.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.2 mt -56.76 -42.29 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.435 ' CG2' ' OE1' ' A' ' 25' ' ' GLN . 88.9 t -66.38 -41.68 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -60.28 -49.81 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 21.0 pt-20 -65.97 -44.51 84.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 11.8 mt -46.43 -46.11 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -68.57 -43.48 76.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.51 70.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -88.03 26.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt 40.37 41.81 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.4 150.39 49.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -50.0 136.15 19.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -48.9 -58.83 4.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -52.76 -50.53 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -50.37 -53.06 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -54.86 -47.89 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.7 71.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.91 -47.06 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -72.26 -43.41 64.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -43.24 -55.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.82 -56.31 23.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -46.77 -45.97 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.425 ' HB2' ' CD ' ' A' ' 25' ' ' GLN . 23.4 tp -49.86 -50.89 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -42.91 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -62.29 -49.03 77.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 mt -48.79 -50.28 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -46.13 -42.69 14.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' LEU . 37.2 mttp -68.29 -65.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -42.82 -23.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 54' ' ' LYS . 1.7 tm? -84.55 -66.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.59 -58.19 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.6 t -44.12 -35.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.65 -43.6 46.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' CG ' HG23 ' A' ' 15' ' ' ILE . 23.4 mt-10 -84.42 26.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 40.18 46.69 3.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -91.5 151.42 42.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.4 59.89 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.248 . . . . 0.0 112.362 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -164.82 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 66' ' ' ALA . 38.6 mt-10 -78.09 49.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.53 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -26.5 91.06 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.607 0.717 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.527 ' N ' ' O ' ' A' ' 65' ' ' GLU . 54.4 Cg_endo -69.66 163.34 38.55 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.399 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -45.66 122.05 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.86 -94.69 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -150.67 140.46 21.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 155.32 23.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -128.25 88.81 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -111.18 70.5 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.9 p -74.66 -53.77 8.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.45 151.63 48.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -113.72 135.67 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.6 m -71.95 95.82 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -105.33 154.65 19.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 t -99.33 -59.34 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.33 40.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -131.29 131.14 43.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m 58.95 44.37 16.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.14 157.77 23.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -112.21 145.8 39.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.8 m -89.95 111.6 22.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . -108.16 162.33 14.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' CB ' ' CD ' ' A' ' 12' ' ' PRO . 2.0 mptm? -95.79 -70.6 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.75 -26.14 27.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.482 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -78.9 -51.61 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 5.4 pt20 -49.26 -27.14 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 12' ' ' PRO . 96.1 mt -46.94 -49.16 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -54.4 -34.06 60.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.55 -47.7 38.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 19' ' ' MET . 25.8 mt -59.58 -57.67 11.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' LEU . 19.4 mtp -36.07 -57.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -49.27 -47.19 46.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -50.8 -51.28 52.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.57 -34.67 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.9 m -75.44 -61.61 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -50.63 -57.51 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' CG ' HD11 ' A' ' 49' ' ' LEU . 41.4 tp60 -39.97 -50.17 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.99 -49.33 55.81 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -56.62 -47.23 80.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.6 -60.7 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -44.48 -47.82 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CD ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -54.36 -47.32 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' OE1' ' CD ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -60.2 -39.45 86.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 24.9 mt -68.78 -47.88 65.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -65.67 -22.89 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.32 -16.61 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -110.13 15.56 22.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt 43.18 28.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.64 159.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -54.35 136.83 43.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -55.33 -40.81 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -53.13 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.47 -53.2 60.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 32' ' ' LEU . 61.4 t -56.6 -51.61 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' VAL . . . -37.48 -56.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.5 -48.47 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.36 -42.64 83.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.2 t -53.31 -55.97 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.16 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.72 -63.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' CE ' ' OE1' ' A' ' 25' ' ' GLN . 21.0 tttt -39.32 -41.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD11 ' CG ' ' A' ' 25' ' ' GLN . 63.7 tp -64.04 -55.77 19.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.09 -20.92 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.92 -46.39 8.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.4 mt -48.0 -28.65 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -64.3 -36.57 84.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 4.1 pttp -81.24 -37.48 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.441 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 17.3 mt-30 -64.75 -47.62 77.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -55.09 -67.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.21 -65.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 89.7 t -39.89 -58.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -37.55 -48.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -74.54 -41.05 61.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.23 14.12 9.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -111.02 148.69 39.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 148.68 65.41 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -163.85 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ALA . 31.7 mm-40 -75.94 52.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.475 ' CB ' ' CD ' ' A' ' 67' ' ' PRO . . . -34.24 -62.87 0.36 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' A' ' 66' ' ' ALA . 54.1 Cg_endo -69.7 -50.74 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.39 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -76.74 71.64 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.89 55.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -69.23 120.13 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -108.26 157.95 17.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -108.14 158.49 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -174.97 156.18 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.7 m 64.98 35.54 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.86 83.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.99 63.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m 47.39 40.77 11.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.1 t -119.91 121.71 39.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.528 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 t -130.77 109.87 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -123.43 41.51 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.64 99.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -112.86 -49.67 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.383 . . . . 0.0 110.85 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -147.34 122.52 10.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.66 91.32 0.54 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -46.56 141.59 3.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 t -83.16 145.26 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 13' ' ' GLN . . . -168.96 118.51 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -45.9 -59.71 4.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.56 0.695 . . . . 0.0 110.873 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 15' ' ' ILE . 5.2 tp-100 -105.24 -67.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' GLN . 14.4 pt20 -37.33 -29.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 13' ' ' GLN . 71.1 mt -52.52 -58.47 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -52.42 -42.15 63.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.3 70.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.415 ' CB ' HD22 ' A' ' 56' ' ' LEU . 15.2 mt -52.56 -49.04 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.464 ' N ' HD21 ' A' ' 56' ' ' LEU . 10.2 mtm -44.18 -49.85 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.06 -42.77 95.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -55.59 -44.85 77.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.92 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.3 m -59.72 -57.25 13.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.177 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 14.8 ttmm -53.79 -60.14 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.486 ' CD ' ' NZ ' ' A' ' 48' ' ' LYS . 8.3 tp60 -46.5 -55.04 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.56 -35.78 5.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.98 -52.5 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.407 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 92.1 mt -49.3 -34.27 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.6 t -70.17 -40.25 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -70.54 -51.63 27.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.74 -38.61 82.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.39 -47.93 69.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -69.43 -37.29 77.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.42 85.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -87.82 23.41 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 44.14 44.37 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.51 171.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.422 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 8.9 t0 -66.07 130.0 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -48.61 -57.16 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -49.55 -49.18 47.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 7.6 mm-40 -53.73 -55.44 26.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' ALA . 63.5 t -56.52 -55.48 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' VAL . . . -35.91 -59.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.39 -58.61 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.92 -30.71 25.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.3 t -78.72 -41.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.01 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' NZ ' ' CD ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -71.97 -41.29 67.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.0 tp -53.22 -52.95 57.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -42.43 -41.95 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 -47.7 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 35.3 mt -44.42 -45.85 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.69 -42.17 45.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 56' ' ' LEU . 17.7 mttm -69.17 -64.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -42.95 -24.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 HD21 ' N ' ' A' ' 19' ' ' MET . 2.0 tm? -86.45 -68.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.23 -48.1 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.71 -50.86 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.86 -53.91 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -66.86 -45.89 76.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.41 -33.69 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -57.96 142.56 79.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 148.69 65.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 0.0 112.331 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -176.78 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -38.99 -44.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 62.05 54.15 2.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 54.4 Cg_endo -69.71 94.52 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.401 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -45.68 139.63 3.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.98 -114.9 0.57 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -126.97 130.46 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.66 151.39 43.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 127.15 37.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 140.63 50.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 p 44.33 42.77 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.96 158.57 6.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -11.96 31.83 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.317 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.9 p -163.55 173.77 12.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 m 59.73 44.3 14.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.913 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.84 0.353 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -67.85 -60.1 5.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.75 -12.29 32.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.913 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 23.5 mm-40 -85.42 -61.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -46.42 -40.66 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.3 mt -48.58 -53.79 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -52.17 -36.47 51.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.55 -42.62 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' GLU . 87.9 mt -59.23 -57.35 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.556 ' HG3' HD21 ' A' ' 56' ' ' LEU . 22.4 mtm -36.09 -51.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.17 -40.64 77.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' LEU . 5.2 mm-40 -62.53 -46.24 89.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.1 t -53.6 -39.49 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.9 m -72.65 -58.33 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HG2' HD11 ' A' ' 28' ' ' ILE . 62.4 tttt -50.89 -48.74 60.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG2' HD12 ' A' ' 52' ' ' LEU . 31.1 tp60 -52.77 -63.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.63 -40.02 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -71.51 -51.2 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.489 HD11 ' HG2' ' A' ' 24' ' ' LYS . 54.4 mt -50.86 -39.49 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' HA ' HD12 ' A' ' 32' ' ' LEU . 97.2 t -69.78 -34.64 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -66.17 -46.99 75.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.98 -37.22 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' A' ' 42' ' ' VAL . 20.7 mt -54.55 -49.03 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -73.39 -29.17 62.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -19.61 62.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -110.99 16.94 20.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm 53.04 45.66 28.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 152.5 30.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.47 132.16 47.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -46.04 -38.0 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -68.79 -46.55 68.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -59.63 -41.79 91.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 46' ' ' VAL . 87.1 t -66.11 -53.95 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.18 -48.66 9.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.69 -60.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -63.34 -46.51 86.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 42' ' ' VAL . 99.1 t -40.19 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.51 -52.48 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -49.41 -46.9 48.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.57 -56.2 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.9 mt -48.93 -30.12 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.04 -42.76 25.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.431 HD12 ' HG2' ' A' ' 25' ' ' GLN . 50.2 mt -53.4 -52.51 59.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -46.97 -41.39 16.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' O ' HG23 ' A' ' 58' ' ' VAL . 14.7 mttm -72.49 -60.33 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.466 ' O ' HD13 ' A' ' 18' ' ' LEU . 36.3 mt-30 -47.96 -21.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.556 HD21 ' HG3' ' A' ' 19' ' ' MET . 3.2 tm? -90.06 -57.3 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.66 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 54' ' ' LYS . 34.7 t -51.12 -52.82 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.7 -49.34 28.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.59 -45.28 91.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.73 -33.05 1.08 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.925 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.545 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.83 0.347 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.497 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 24.2 mmtt -64.53 -60.04 9.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HA ' HD12 ' A' ' 15' ' ' ILE . 53.8 Cg_endo -69.73 1.62 4.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.545 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 15.9 tt0 -104.63 -35.53 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -71.25 -28.73 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 12' ' ' PRO . 75.3 mt -54.38 -61.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -43.79 -40.45 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.41 69.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.1 mt -58.44 -49.45 77.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.8 mtm -46.3 -51.8 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -54.19 -39.09 66.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.75 -53.44 40.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.3 t -52.26 -42.14 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.8 m -71.13 -58.85 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 11.3 ttmm -53.19 -60.24 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' HG2' HD12 ' A' ' 52' ' ' LEU . 38.1 tp60 -43.13 -50.83 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.01 -41.31 52.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -76.57 -12.98 60.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 95.8 mt -91.75 -35.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.56 -26.12 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' CG ' ' N ' ' A' ' 31' ' ' GLU . 8.8 ptm180 -72.23 -51.3 21.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 10.5 pt-20 -59.39 -38.63 81.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD13 ' HA ' ' A' ' 42' ' ' VAL . 14.5 mt -51.94 -60.27 3.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -56.01 -36.63 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -26.91 63.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 37' ' ' ALA . 35.9 mt-30 -95.43 25.68 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' GLN . 9.8 pttp 34.56 34.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . -57.28 155.07 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -50.77 123.21 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -28.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.25 -39.03 60.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.6 -40.14 84.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.637 ' HA ' HD13 ' A' ' 32' ' ' LEU . 45.0 t -68.04 -51.6 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.93 -52.62 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.6 -50.17 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.2 -46.17 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -51.3 -58.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.57 -52.06 11.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HD3' HD11 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -59.03 -60.17 4.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' A' ' 52' ' ' LEU . 20.7 tp -42.56 -48.98 5.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -54.29 -39.31 66.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.14 -19.51 56.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 49' ' ' LEU . 64.2 mt -80.05 -15.15 57.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -84.0 -27.82 28.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 58' ' ' VAL . 3.2 ptmm? -88.84 -35.72 16.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -65.51 -33.97 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -63.78 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.98 -47.47 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 54' ' ' LYS . 73.3 t -61.42 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.14 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.074 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -75.63 -30.57 59.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.62 27.58 26.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.0 pttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.905 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 6.7 mptt -71.09 -59.93 3.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.545 0.688 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.79 0.19 6.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -106.38 -53.22 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 10.5 pt20 -52.02 -33.32 38.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 12' ' ' PRO . 57.5 mt -35.4 -44.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -67.07 -49.24 65.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.57 -34.9 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.42 HD23 ' OE2' ' A' ' 21' ' ' GLU . 17.7 mt -72.71 -63.04 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.664 ' HG3' HD21 ' A' ' 56' ' ' LEU . 36.9 mtm -41.99 -25.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.9 t70 -74.41 -56.58 4.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' OE2' HD23 ' A' ' 18' ' ' LEU . 7.9 pt-20 -63.49 -38.75 92.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.635 HG22 HD22 ' A' ' 52' ' ' LEU . 78.4 t -57.61 -48.71 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -49.27 -56.21 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.638 ' HG2' HD11 ' A' ' 28' ' ' ILE . 64.9 tttt -56.1 -38.16 70.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -49.58 -69.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.86 -34.11 10.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -66.99 -35.59 80.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.638 HD11 ' HG2' ' A' ' 24' ' ' LYS . 23.5 mt -70.62 -40.25 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.26 -34.78 68.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 ttm-85 -68.4 -53.62 22.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.14 -40.16 92.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 11.4 mt -55.3 -55.25 33.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -63.17 -40.55 97.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.88 -23.31 66.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -99.98 23.59 9.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.42 37.55 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.58 158.59 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 41' ' ' GLU . 6.3 t0 -57.21 118.88 5.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -38.46 -50.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -66.06 -40.83 91.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 4.9 tp10 -61.41 -28.83 69.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -75.3 -37.91 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.83 -51.02 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.85 -43.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 32' ' ' LEU . 45.4 mm-40 -75.69 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.1 t -46.96 -25.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.79 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -82.27 -23.0 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -72.47 -36.75 68.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.91 -42.07 88.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.51 -46.42 54.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.635 HD22 HG22 ' A' ' 22' ' ' VAL . 14.9 mt -48.48 -53.47 17.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -40.78 -45.34 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -69.58 -65.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -41.84 -27.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.664 HD21 ' HG3' ' A' ' 19' ' ' MET . 2.4 tm? -83.71 -65.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.91 -54.17 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.4 t -52.56 -46.5 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.83 -41.1 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.0 -45.32 92.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.77 -36.0 0.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.877 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -64.28 -59.97 9.72 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.78 -6.39 18.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.636 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 83.9 mm-40 -96.92 -57.67 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 10.1 pt20 -45.26 -29.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.75 HG22 ' SD ' ' A' ' 19' ' ' MET . 73.5 mt -42.19 -58.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -50.86 -52.65 39.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.25 -22.32 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.828 ' O ' HG23 ' A' ' 22' ' ' VAL . 25.5 mt -88.07 -54.73 4.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.75 ' SD ' HG22 ' A' ' 15' ' ' ILE . 30.0 mtp -47.63 -42.42 24.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -58.58 -62.87 1.53 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 8.6 pt-20 -52.88 -45.19 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 18' ' ' LEU . 48.0 t -53.37 -40.13 38.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.5 m -68.14 -61.16 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -49.64 -52.56 29.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.54 ' HG2' HD12 ' A' ' 52' ' ' LEU . 7.4 tp-100 -45.01 -58.48 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.97 -52.85 9.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -52.99 -49.47 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -54.43 -39.73 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -68.55 -42.06 83.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.58 -50.32 74.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.34 -41.11 96.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -53.1 -40.39 64.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -72.63 -40.01 66.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.34 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.6 pt20 -96.04 23.44 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER 33.99 41.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.31 161.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.72 119.21 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -39.51 -68.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.5 OUTLIER -40.1 -52.88 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -54.19 -53.65 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.406 HG12 HG23 ' A' ' 46' ' ' VAL . 85.8 t -52.89 -49.85 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.05 -42.91 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.91 -49.83 15.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.61 -45.06 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG23 HG12 ' A' ' 42' ' ' VAL . 83.8 t -45.38 -66.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -48.54 -45.51 37.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -56.0 -52.03 65.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.38 -46.39 80.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 47' ' ' ALA . 22.9 mt -51.4 -24.24 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -88.44 -43.1 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.54 HD12 ' HG2' ' A' ' 25' ' ' GLN . 18.2 mt -52.2 -20.61 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -74.53 -31.62 62.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 58' ' ' VAL . 2.9 ptmt -81.76 -36.66 28.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 10.5 mt-30 -69.41 -41.96 75.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.483 HD21 ' HG3' ' A' ' 19' ' ' MET . 2.0 tm? -65.16 -65.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -42.32 -59.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 54' ' ' LYS . 95.7 t -47.61 -56.05 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.76 -41.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.47 -41.98 31.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.05 -3.33 3.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.532 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 1.4 mptm? . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.926 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 2.4 mmmp? -67.78 -60.01 5.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.7 -1.27 8.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.926 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 35.0 mt-30 -104.81 -43.05 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -59.19 -26.72 65.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 12' ' ' PRO . 70.3 mt -45.31 -58.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -49.94 -56.69 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.17 -37.89 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 55' ' ' GLN . 31.0 mt -70.51 -54.72 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.9 mtm -50.11 -26.59 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -73.69 -57.16 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.482 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 17.9 pt-20 -61.48 -40.44 94.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.62 -52.5 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -51.91 -56.19 15.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.48 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 25.2 ttpt -52.1 -58.3 6.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.748 ' O ' HG23 ' A' ' 29' ' ' VAL . 32.2 tp60 -56.5 -35.07 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.51 -54.72 18.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.473 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 24' ' ' LYS . 1.3 p30 -61.33 -35.62 77.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.42 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 70.5 mt -62.81 -40.42 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 25' ' ' GLN . 91.7 t -67.01 -35.42 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 ttp85 -67.51 -49.03 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 14.2 pt-20 -62.68 -42.22 99.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB3' HG22 ' A' ' 42' ' ' VAL . 15.9 mt -50.76 -52.14 43.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.45 -46.91 83.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.27 70.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 82.4 mt-30 -89.28 26.58 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' GLN . 8.9 ptmm? 34.31 42.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.65 155.19 38.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -53.27 132.05 38.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -46.63 -52.34 13.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -56.63 -46.45 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -59.09 -46.27 88.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.566 HG22 ' HB3' ' A' ' 32' ' ' LEU . 84.5 t -66.41 -39.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -56.3 -59.26 5.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -37.18 -38.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -75.57 -45.76 35.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.8 -40.61 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.31 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -74.1 -29.43 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.711 HD22 HG21 ' A' ' 29' ' ' VAL . 9.6 tp -67.24 -50.2 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.7 mt -46.93 -41.79 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -68.84 -41.14 78.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 49' ' ' LEU . 22.1 mt -56.03 -34.34 65.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -55.04 -42.53 72.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' LEU . 75.9 mttt -68.38 -60.89 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.525 ' O ' HD13 ' A' ' 18' ' ' LEU . 39.8 mt-30 -43.34 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -87.15 -67.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.17 -53.2 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.89 -43.94 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.22 -60.5 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.78 -37.23 78.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.424 ' C ' ' HE2' ' A' ' 62' ' ' LYS . . . 112.71 25.6 4.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.424 ' HE2' ' C ' ' A' ' 61' ' ' GLY . 6.2 mmpt? . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.586 0.707 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.665 ' HB3' ' CG ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.824 0.345 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -71.33 -59.96 2.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.908 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.679 ' HA ' HD12 ' A' ' 15' ' ' ILE . 52.9 Cg_endo -69.79 2.09 3.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.665 ' CG ' ' HB3' ' A' ' 10' ' ' ALA . 96.2 mm-40 -101.67 -53.26 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 9.5 pt20 -53.01 -40.13 63.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 12' ' ' PRO . 79.4 mt -40.47 -62.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -45.18 -44.02 10.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.38 81.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.042 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.584 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 16.4 mt -60.16 -64.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.5 mtm -41.75 -36.44 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.09 -59.57 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 9.1 pt-20 -59.65 -39.74 85.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.874 HG21 HD23 ' A' ' 56' ' ' LEU . 96.6 t -56.29 -39.89 62.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.8 m -71.7 -59.06 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -46.95 -42.66 18.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.53 ' HG2' HD12 ' A' ' 52' ' ' LEU . 9.4 tp-100 -46.98 -58.29 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.06 -40.38 28.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -62.22 -43.62 98.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.498 HG22 ' CD1' ' A' ' 32' ' ' LEU . 54.1 mt -63.92 -44.47 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.83 -37.6 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -70.19 -52.09 26.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -38.74 92.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CD1' HG22 ' A' ' 28' ' ' ILE . 13.8 mt -53.35 -47.47 69.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -62.39 -44.74 95.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.32 -36.94 71.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -86.81 26.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 39.11 40.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.63 158.5 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.42 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 36.0 t70 -62.63 131.93 50.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -46.03 -50.89 14.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -56.72 -53.97 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 5.9 mm-40 -51.79 -49.75 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.82 -48.06 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.25 -41.87 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.79 -61.19 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.477 ' OE2' HG21 ' A' ' 28' ' ' ILE . 4.9 mm-40 -55.65 -36.14 66.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.6 t -57.39 -63.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.19 -52.41 44.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -54.31 -52.69 60.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.776 ' HA ' HD12 ' A' ' 52' ' ' LEU . 28.4 tp -52.91 -48.79 66.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.9 mt -45.9 -39.51 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' LYS . 84.2 m-20 -73.61 -50.17 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 49' ' ' LEU . 38.0 mt -42.25 -36.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -60.34 -39.9 88.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -84.34 -34.93 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 21.7 mt-30 -65.67 -37.54 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 22' ' ' VAL . 1.4 tm? -63.01 -51.38 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.95 83.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 54' ' ' LYS . 96.4 t -55.35 -54.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -45.05 -47.06 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.83 -43.64 75.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.91 -39.91 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.841 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.728 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.863 0.364 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 31.9 mmtt -63.72 -59.97 10.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.55 0.691 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.64 ' HA ' HD12 ' A' ' 15' ' ' ILE . 53.4 Cg_endo -69.78 -0.21 6.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.728 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 33.9 tp60 -103.1 -47.68 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 12.4 pt20 -57.97 -31.88 67.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.72 ' HA ' HD12 ' A' ' 18' ' ' LEU . 87.0 mt -44.13 -61.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -46.5 -48.42 19.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.16 83.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.962 HD13 ' HA ' ' A' ' 56' ' ' LEU . 28.0 mt -50.17 -55.32 15.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.418 ' HG2' HD11 ' A' ' 56' ' ' LEU . 59.3 mtm -52.83 -41.12 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -62.45 -50.29 72.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -48.46 -56.12 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -44.22 -42.69 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 m -63.24 -67.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 4.0 tppt? -54.93 -63.83 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -48.36 -35.29 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.7 -49.83 57.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 28' ' ' ILE . 3.4 p30 -69.7 -33.74 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.5 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 12.0 mt -60.27 -42.52 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.69 -44.18 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -57.71 -50.5 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 17.0 pt-20 -61.91 -42.19 98.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB3' HG22 ' A' ' 42' ' ' VAL . 13.2 mt -47.62 -52.23 18.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -63.96 -38.56 91.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.29 91.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.132 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -85.77 27.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? 44.22 48.06 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.48 166.72 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.41 130.69 41.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -48.97 -46.46 43.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -47.96 83.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.6 -50.57 73.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 46' ' ' VAL . 77.8 t -57.23 -45.25 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.74 -49.61 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.19 -54.49 6.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.24 -45.8 83.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 42' ' ' VAL . 81.9 t -47.28 -59.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.4 -56.9 10.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -49.58 -54.49 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 52' ' ' LEU . 41.9 tp -47.43 -49.53 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -53.35 -42.78 67.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -62.83 -37.25 86.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 49' ' ' LEU . 74.9 mt -63.23 -29.7 70.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -67.31 -36.63 81.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.1 ptmm? -87.56 -33.95 18.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.433 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 22.5 mt-30 -63.67 -41.0 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.962 ' HA ' HD13 ' A' ' 18' ' ' LEU . 3.6 tt -63.6 -64.96 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.25 -53.84 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 54' ' ' LYS . 94.1 t -48.85 -43.31 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.61 -57.49 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -53.03 -39.17 62.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.31 24.33 2.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.852 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.845 0.355 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.534 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -65.96 -58.37 11.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.589 0.709 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.76 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.852 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 4.9 mm-40 -91.67 -46.63 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -57.83 -25.99 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 12' ' ' PRO . 89.4 mt -45.15 -55.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -48.49 -47.31 38.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.47 -33.02 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 20' ' ' ASP . 36.9 mt -80.36 -62.91 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.1 mtm -39.8 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.5 t0 -77.5 -65.53 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.22 -47.36 75.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.524 HG22 ' HB3' ' A' ' 52' ' ' LEU . 70.2 t -49.6 -45.93 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.6 m -58.21 -61.51 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.583 ' HD3' HD11 ' A' ' 28' ' ' ILE . 15.4 ttmm -48.08 -48.36 33.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' HG2' HD12 ' A' ' 52' ' ' LEU . 53.3 tp60 -42.31 -57.14 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.32 -48.19 27.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.76 -45.59 91.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.583 HD11 ' HD3' ' A' ' 24' ' ' LYS . 77.1 mt -53.26 -41.63 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.69 -45.65 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -60.47 -47.62 85.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.79 -45.55 78.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.24 -55.33 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -58.68 -41.67 86.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.14 -22.89 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' LYS . 44.8 mt-30 -94.47 26.96 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' GLN . 17.0 pttm 37.83 40.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 160.8 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.53 140.28 54.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -52.09 -47.75 65.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -63.58 -44.15 94.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -46.94 72.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.8 t -67.62 -50.92 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.94 -44.69 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.33 -50.08 68.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -63.58 -47.74 80.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.1 t -49.9 -57.28 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.84 -43.2 65.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -62.21 -52.21 64.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.9 tp -41.95 -38.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.2 mt -59.96 -56.54 20.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -53.83 -29.73 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HB3' HG22 ' A' ' 22' ' ' VAL . 36.6 mt -78.03 -30.26 49.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -76.26 -27.72 56.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 58' ' ' VAL . 10.7 pttp -84.55 -34.45 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -73.16 -47.13 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -56.29 -48.5 76.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.25 37.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 54' ' ' LYS . 98.9 t -57.24 -47.9 83.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.85 -49.28 8.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.3 -43.87 72.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.02 -40.12 0.86 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.83 0.348 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -67.85 -59.97 5.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.921 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.71 2.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.405 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' CD ' ' C ' ' A' ' 13' ' ' GLN . 1.5 tm0? -105.05 -55.2 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 15.5 pt20 -50.06 -33.5 18.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 97.0 mt -47.26 -57.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -47.03 -56.3 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.37 -45.27 65.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.11 -58.91 6.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.2 mtm -44.63 -24.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -82.24 -65.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -55.92 -49.9 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.551 HG21 HD23 ' A' ' 56' ' ' LEU . 95.6 t -51.5 -47.81 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -64.96 -57.19 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -46.29 -47.79 18.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.531 ' HG2' HD12 ' A' ' 52' ' ' LEU . 38.3 tp60 -54.4 -50.23 68.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.38 -35.39 60.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' HA ' ' CD ' ' A' ' 30' ' ' ARG . 65.9 m-20 -73.42 -18.04 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.9 mt -85.09 -31.77 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.94 -37.99 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.475 ' CD ' ' HA ' ' A' ' 27' ' ' ASN . 15.7 ptm180 -56.57 -49.53 74.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 8.4 pt-20 -67.69 -37.77 82.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 15.8 mt -53.69 -47.53 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -73.0 -27.76 61.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.55 -6.07 54.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -116.42 26.72 9.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 mttm 40.67 34.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.75 171.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -72.14 131.5 42.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -45.5 -42.08 10.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -66.95 -47.4 71.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.74 -45.12 82.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.27 -60.61 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.45 -46.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.38 -56.83 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.4 -41.9 93.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' ALA . 95.9 t -52.7 -64.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -34.2 -43.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -73.15 -49.94 25.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.9 -48.86 60.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -55.06 -34.96 64.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -78.63 -23.81 45.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD12 ' HG2' ' A' ' 25' ' ' GLN . 36.9 mt -77.11 -23.58 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -73.35 -32.58 64.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -83.16 -34.69 25.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.454 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 34.6 mt-30 -66.6 -38.52 87.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.551 HD23 HG21 ' A' ' 22' ' ' VAL . 1.3 tm? -61.18 -57.09 13.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.25 -46.71 72.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 54' ' ' LYS . 70.1 t -53.47 -56.37 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.85 -53.02 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.68 -36.04 81.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.45 30.34 14.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 110.927 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.844 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.827 0.346 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 13.8 mmtp -69.56 -60.01 4.28 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.558 0.694 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.627 ' HA ' HD12 ' A' ' 15' ' ' ILE . 53.6 Cg_endo -69.8 -0.74 7.39 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.844 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 19.2 mm-40 -102.75 -47.59 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -56.85 -34.93 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 12' ' ' PRO . 44.8 mt -52.31 -59.36 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -47.85 -34.06 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.2 -52.79 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 55' ' ' GLN . 12.1 mt -54.47 -49.01 71.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.465 ' CG ' HD21 ' A' ' 56' ' ' LEU . 9.1 mtm -42.74 -49.54 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -65.08 -38.14 89.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.74 -47.21 83.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.29 -47.87 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.2 m -63.38 -53.74 47.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -57.98 -59.69 4.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 28' ' ' ILE . 23.8 tp60 -44.32 -46.1 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.74 -37.0 93.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -67.25 -41.04 86.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 25' ' ' GLN . 58.7 mt -56.91 -37.91 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.19 -40.69 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.74 -56.93 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 1.9 pp20? -58.62 -35.53 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HB3' HG22 ' A' ' 42' ' ' VAL . 12.9 mt -57.83 -47.64 82.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -63.93 -43.22 96.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.55 71.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 31' ' ' GLU . 39.8 mt-30 -87.2 26.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt 40.8 43.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.19 155.74 36.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.05 132.23 53.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -47.89 -48.75 31.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -56.29 -42.95 78.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -61.07 -45.42 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.588 HG22 ' HB3' ' A' ' 32' ' ' LEU . 57.8 t -66.62 -52.8 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.34 -57.51 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.31 -54.32 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -55.54 -48.96 73.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.2 t -50.14 -58.03 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.14 -53.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -55.75 -54.55 43.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.4 tp -47.36 -50.42 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.4 -46.6 13.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.76 -54.47 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.5 mt -42.55 -40.28 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -48.81 -42.24 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER -77.79 -38.06 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.51 ' O ' HD13 ' A' ' 18' ' ' LEU . 47.9 mt-30 -58.5 -26.94 63.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD21 ' CG ' ' A' ' 19' ' ' MET . 2.6 tm? -79.31 -62.66 1.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.91 -50.61 68.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.572 ' CG1' ' N ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -51.94 -47.24 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.572 ' N ' ' CG1' ' A' ' 58' ' ' VAL . . . -47.88 -45.81 30.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -72.17 -37.86 69.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.63 -18.72 4.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.553 0.692 . . . . 0.0 110.89 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.659 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.863 0.363 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 3.0 tptp -60.6 -59.54 13.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.553 0.692 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.79 -2.74 10.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.659 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 1.3 tm0? -97.01 -62.77 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -38.45 -26.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' GLN . 70.6 mt -42.51 -58.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -45.69 -38.76 7.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.2 -30.37 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.93 -56.1 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.509 ' HG2' HD21 ' A' ' 56' ' ' LEU . 40.2 mtm -50.55 -34.06 24.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.82 -56.19 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 11.3 pt-20 -62.79 -33.68 75.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 52' ' ' LEU . 31.3 t -65.13 -55.71 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 m -48.55 -60.98 2.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG2' HD11 ' A' ' 28' ' ' ILE . 20.4 tttp -49.26 -54.4 17.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HA ' HD12 ' A' ' 28' ' ' ILE . 58.4 tp60 -42.88 -43.94 4.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.15 -40.41 98.5 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -71.29 -45.15 63.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 25' ' ' GLN . 72.3 mt -48.47 -45.61 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.2 -40.5 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -61.0 -45.12 96.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 8.6 pt-20 -72.1 -36.66 69.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD11 ' HG3' ' A' ' 45' ' ' GLU . 16.0 mt -54.83 -49.53 70.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -67.07 -40.63 87.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.22 -25.61 68.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -94.35 26.42 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.1 mttm 42.04 35.65 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.91 152.25 28.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.8 t0 -60.57 139.04 57.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -46.66 -46.4 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -58.13 -54.07 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -54.79 -45.79 74.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 38' ' ' ASP . 52.3 t -63.76 -60.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -41.7 -49.58 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -37.34 -59.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HG3' HD11 ' A' ' 32' ' ' LEU . 5.1 mm-40 -66.05 -47.36 74.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.7 t -44.25 -51.1 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.82 -50.82 55.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' ASP . 22.4 ttmt -56.75 -61.47 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 tp -40.71 -46.93 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -51.57 -39.35 57.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' LYS . 84.4 m-20 -74.99 -55.51 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.487 ' CD2' ' OE2' ' A' ' 21' ' ' GLU . 10.2 mt -45.84 -37.35 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -53.81 -42.16 68.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -77.21 -33.15 56.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.436 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 14.0 mt-30 -64.88 -44.7 88.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -62.56 -60.81 3.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 62' ' ' LYS . . . -42.17 -62.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.9 t -51.87 -51.86 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.88 -45.55 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.15 -48.58 28.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.28 -22.55 2.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.45 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.58 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.947 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.874 0.369 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -70.16 -59.99 3.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.8 -12.85 33.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.738 2.292 . . . . 0.0 112.34 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.947 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 33.1 mt-30 -91.55 -55.21 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 15' ' ' ILE . 19.2 pt20 -51.46 -48.4 62.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.565 HG22 ' HE2' ' A' ' 19' ' ' MET . 60.5 mt -40.81 -60.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.552 ' HA ' ' HE2' ' A' ' 19' ' ' MET . 54.4 tp60 -47.8 -40.04 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -46.45 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.588 ' CD1' ' CB ' ' A' ' 59' ' ' ALA . 18.9 mt -58.15 -56.65 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE2' HG22 ' A' ' 15' ' ' ILE . 36.1 mtm -39.91 -47.57 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -62.38 -46.19 89.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -50.4 -51.37 46.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.87 -53.07 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.9 m -49.57 -49.14 47.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -66.76 -51.71 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 45' ' ' GLU . 14.6 tp60 -50.5 -59.1 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.59 -40.7 8.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -71.27 -40.21 71.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.12 -39.09 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.407 HG21 HD22 ' A' ' 49' ' ' LEU . 97.7 t -68.86 -38.55 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -62.14 -54.36 42.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.78 -42.5 97.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.552 ' HB3' HG22 ' A' ' 42' ' ' VAL . 12.5 mt -45.31 -49.59 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -65.3 -43.56 90.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -41.34 85.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -85.71 26.62 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.41 42.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.01 166.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.471 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 32.8 t0 -74.9 124.1 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -38.91 -53.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -58.68 -48.54 80.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 6.6 mm-40 -52.89 -49.44 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 32' ' ' LEU . 74.0 t -63.92 -46.02 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.91 -41.11 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -56.08 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB3' ' NE2' ' A' ' 25' ' ' GLN . 9.6 mm-40 -58.91 -34.65 71.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.15 -47.22 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.72 20.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -62.05 -35.27 78.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 22.7 tp -64.12 -70.96 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' LEU . 94.9 mt -35.1 -34.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -81.95 -44.7 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.7 mt -52.98 -34.63 56.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -56.93 -42.42 79.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.5 ptmt -72.91 -33.05 65.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.472 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 31.3 mt-30 -68.7 -49.81 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 tm? -50.89 -52.14 44.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.32 -53.22 60.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 54' ' ' LYS . 99.9 t -51.95 -55.57 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.588 ' CB ' ' CD1' ' A' ' 18' ' ' LEU . . . -42.35 -48.02 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -65.49 -43.4 90.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.93 -37.65 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.924 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.808 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.799 0.333 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 13.4 mmtm -62.59 -59.94 11.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.78 -1.69 8.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.26 . . . . 0.0 112.356 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.808 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 13.1 tt0 -100.79 -56.03 2.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -48.89 -44.02 39.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' SD ' ' A' ' 19' ' ' MET . 96.1 mt -39.65 -57.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -51.92 -42.59 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.14 -54.8 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLU . 20.1 mt -51.95 -55.85 17.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.52 ' HG3' HD21 ' A' ' 56' ' ' LEU . 19.7 mtp -36.26 -57.95 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.45 -42.84 54.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' LEU . 34.3 mm-40 -59.52 -52.85 63.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.5 -42.04 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.5 m -66.65 -57.85 6.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' GLN . 28.0 ttpt -57.38 -58.46 8.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.633 ' HG2' HD12 ' A' ' 52' ' ' LEU . 42.9 tp60 -37.97 -57.73 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.28 -40.4 29.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -67.01 -44.89 79.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 25' ' ' GLN . 74.8 mt -51.51 -42.87 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -62.84 -41.87 94.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -61.95 -53.23 58.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.83 -39.96 93.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.772 HD11 ' HG3' ' A' ' 45' ' ' GLU . 12.5 mt -48.62 -58.45 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -53.13 -45.23 68.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.82 72.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -86.83 26.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt 41.49 42.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.12 143.67 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.11 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.58 135.35 56.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -44.6 -36.65 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.459 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 46.7 t30 -66.36 -48.51 69.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -54.57 -41.46 69.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.525 ' HA ' HD13 ' A' ' 32' ' ' LEU . 57.6 t -69.8 -47.05 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.18 -46.15 11.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.54 -60.42 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.772 ' HG3' HD11 ' A' ' 32' ' ' LEU . 41.0 mm-40 -53.7 -43.58 69.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 42' ' ' VAL . 85.9 t -60.38 -49.02 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.84 -55.1 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 15.5 ptpt -62.29 -36.34 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 29.1 tp -58.57 -38.6 78.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.46 -45.5 91.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -70.04 -32.06 70.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.633 HD12 ' HG2' ' A' ' 25' ' ' GLN . 88.3 mt -66.87 -31.47 72.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -67.99 -36.87 80.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.694 ' O ' HG23 ' A' ' 58' ' ' VAL . 14.6 pttt -85.85 -35.69 20.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.43 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 6.5 mt-30 -60.06 -40.97 91.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.52 HD21 ' HG3' ' A' ' 19' ' ' MET . 2.4 tm? -59.14 -56.22 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.36 -55.6 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 54' ' ' LYS . 93.2 t -42.71 -60.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.22 -54.46 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -62.0 -36.17 80.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.55 31.08 6.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.4 mttt . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 0.0 110.933 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -66.12 -59.96 7.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.948 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.866 ' HA ' HD12 ' A' ' 15' ' ' ILE . 54.3 Cg_endo -69.72 -0.88 7.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.549 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 25.7 tt0 -99.69 -45.81 5.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -65.03 -35.96 82.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 12' ' ' PRO . 47.7 mt -47.26 -62.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -40.13 -41.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.61 -41.03 80.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 15' ' ' ILE . 44.3 mt -55.77 -45.53 78.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.4 mtm -55.52 -37.79 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -67.19 -48.61 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -47.26 -58.01 4.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.429 HG21 HD12 ' A' ' 56' ' ' LEU . 62.0 t -40.13 -45.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.2 m -58.35 -68.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -47.38 -51.77 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.911 ' OE1' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -51.18 -53.62 33.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.43 -45.93 29.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.97 -47.84 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 25' ' ' GLN . 60.8 mt -48.56 -54.85 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.507 ' HA ' HD12 ' A' ' 32' ' ' LEU . 99.4 t -52.56 -48.8 46.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -51.85 -40.53 60.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.15 -45.44 84.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.816 HD13 ' HA ' ' A' ' 42' ' ' VAL . 22.3 mt -54.0 -57.93 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -66.62 -17.76 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.5 -25.93 24.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -111.46 15.46 21.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm 47.54 45.32 17.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -55.4 161.89 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -55.45 136.94 49.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -39.11 -54.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.61 -39.63 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -60.27 -41.18 92.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.816 ' HA ' HD13 ' A' ' 32' ' ' LEU . 42.5 t -67.92 -52.52 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.24 -51.6 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.33 -40.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.773 ' HG3' HD11 ' A' ' 32' ' ' LEU . 41.0 mm-40 -82.08 -50.78 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.1 t -46.15 -54.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.86 -60.15 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -52.67 25.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.911 HD13 ' OE1' ' A' ' 25' ' ' GLN . 27.1 tp -45.07 -52.61 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -57.87 -31.0 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.57 -23.32 50.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.61 HD12 ' HG3' ' A' ' 25' ' ' GLN . 20.4 mt -74.79 -25.33 58.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -30.05 61.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 58' ' ' VAL . 9.8 ptmt -87.99 -36.12 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.79 -32.71 73.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.676 ' HA ' HD13 ' A' ' 18' ' ' LEU . 1.9 tt -72.78 -68.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.04 -60.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 54' ' ' LYS . 71.0 t -41.98 -44.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.472 ' HB1' HG12 ' A' ' 15' ' ' ILE . . . -65.94 -58.6 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -50.22 -33.45 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.65 14.36 23.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.897 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 6.9 mmtp -71.26 -59.92 3.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.623 ' HA ' HD12 ' A' ' 15' ' ' ILE . 54.3 Cg_endo -69.72 2.85 3.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.897 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -99.08 -58.09 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 27.3 pt20 -48.71 -37.02 17.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 12' ' ' PRO . 88.0 mt -38.56 -64.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -42.77 -48.45 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.8 -56.51 21.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.39 -50.99 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.3 mtm -41.37 -52.21 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -56.29 -37.96 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' CB ' HD22 ' A' ' 52' ' ' LEU . 49.8 mm-40 -59.43 -47.66 84.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 52' ' ' LEU . 90.3 t -56.98 -48.96 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.2 m -65.84 -57.5 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -52.08 -49.9 62.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.584 ' HB3' HD13 ' A' ' 49' ' ' LEU . 7.6 tp-100 -59.34 -52.37 65.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.21 -43.42 7.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -68.23 -47.24 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.9 mt -58.58 -40.1 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.996 HG21 HD22 ' A' ' 49' ' ' LEU . 86.4 t -68.93 -40.48 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -67.38 -49.96 61.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -64.88 -39.72 93.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD11 ' HG3' ' A' ' 45' ' ' GLU . 12.0 mt -50.74 -48.4 59.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -68.66 -43.52 76.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.27 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' A' ' 36' ' ' LYS . 32.8 mt-30 -89.32 27.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER 30.62 47.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.67 171.85 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -55.74 127.82 31.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -45.6 38.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -58.67 -51.08 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -54.7 -45.99 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 46' ' ' VAL . 99.4 t -58.55 -51.82 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.54 -52.78 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.51 -44.62 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' HG3' HD11 ' A' ' 32' ' ' LEU . 5.5 mm-40 -69.41 -41.82 75.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 42' ' ' VAL . 87.6 t -46.03 -56.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.5 -60.41 2.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -50.71 -64.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.996 HD22 HG21 ' A' ' 29' ' ' VAL . 32.6 tp -41.1 -60.47 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -39.56 -38.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.93 -34.73 51.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 49' ' ' LEU . 65.1 mt -62.9 -8.29 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -31.6 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.864 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.7 ptpt -90.81 -38.26 13.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -65.75 -38.32 88.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.3 -67.0 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.14 -51.36 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 54' ' ' LYS . 76.7 t -45.96 -57.46 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.66 -46.78 67.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -58.17 -39.54 79.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.46 29.85 4.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.905 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.757 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 7.2 tppt? -62.82 -59.38 12.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.752 ' HA ' HD12 ' A' ' 15' ' ' ILE . 54.1 Cg_endo -69.71 3.39 2.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.757 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 23.0 tt0 -99.61 -54.8 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -50.63 -36.29 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 12' ' ' PRO . 64.8 mt -43.12 -48.56 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -55.2 -48.94 73.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.18 82.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 22' ' ' VAL . 68.7 mt -55.64 -49.01 74.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.4 mtm -54.71 -32.31 59.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -71.67 -59.13 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.87 -47.79 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 18' ' ' LEU . 87.8 t -54.71 -55.09 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.1 m -53.71 -59.73 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -42.79 -45.53 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HA ' HD12 ' A' ' 28' ' ' ILE . 53.4 tp60 -53.0 -61.44 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.99 -45.1 2.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -63.21 -50.72 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 25' ' ' GLN . 78.6 mt -46.63 -51.02 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.03 -45.18 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -59.45 -37.24 77.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.21 -44.05 93.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' ' 42' ' ' VAL . 18.1 mt -56.74 -57.64 11.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -56.05 -35.13 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.27 -36.5 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' LYS . 45.6 mt-30 -97.28 24.26 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' GLN . 61.5 mttm 38.4 44.62 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . . . -56.18 172.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.92 131.13 42.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -45.91 -54.03 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -49.45 -44.59 45.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.57 -55.03 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.747 ' HA ' HD13 ' A' ' 32' ' ' LEU . 37.4 t -53.49 -47.15 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.36 -49.67 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.65 -46.72 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -67.35 -45.97 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 42' ' ' VAL . 96.9 t -48.48 -65.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -47.09 -51.22 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.608 ' HE3' HD11 ' A' ' 52' ' ' LEU . 49.0 tttp -53.46 -54.56 35.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.9 tp -40.21 -48.42 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 47' ' ' ALA . 35.0 mt -47.83 -59.88 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -53.67 -32.4 51.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.608 HD11 ' HE3' ' A' ' 48' ' ' LYS . 31.5 mt -73.93 -35.61 64.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -75.57 -30.71 59.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 58' ' ' VAL . 9.5 ptmt -83.63 -33.63 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -68.57 -43.93 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 56' ' ' LEU . 1.5 tm? -52.11 -65.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -41.47 -54.26 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 54' ' ' LYS . 87.8 t -50.0 -53.27 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.54 -49.3 56.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -64.41 -41.49 96.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.7 -36.34 0.92 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.548 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 34.0 mmtt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.843 0.354 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 9.9 tptp -61.11 -59.87 12.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.76 -9.85 27.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.276 . . . . 0.0 112.309 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 42.6 tp60 -90.74 -55.22 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -45.69 -24.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.751 ' HA ' HD12 ' A' ' 18' ' ' LEU . 90.1 mt -54.29 -56.25 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.653 ' HA ' ' HE3' ' A' ' 19' ' ' MET . 50.7 tp60 -52.91 -46.5 68.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.2 -48.47 78.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 15' ' ' ILE . 12.9 mt -51.98 -56.3 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.653 ' HE3' ' HA ' ' A' ' 16' ' ' GLN . 29.8 mtm -38.88 -42.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.79 -42.39 95.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' LEU . 6.1 mm-40 -61.74 -48.9 78.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -54.64 -41.98 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.8 m -66.08 -58.79 4.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' GLN . 22.1 tttm -57.28 -59.53 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.686 ' HG3' HD13 ' A' ' 49' ' ' LEU . 28.0 tp60 -36.23 -61.34 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.16 -57.15 5.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -47.56 -52.89 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -50.43 -43.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.652 HG21 HD22 ' A' ' 49' ' ' LEU . 93.5 t -64.54 -44.82 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -50.16 74.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 9.0 pt-20 -65.57 -39.1 91.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.701 HD11 ' HG3' ' A' ' 45' ' ' GLU . 13.9 mt -49.27 -51.62 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -61.83 -43.94 97.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.11 73.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.101 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' LYS . 68.1 mt-30 -87.14 26.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' GLN . 27.2 mttm 35.85 41.87 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.45 156.16 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.0 t70 -60.63 131.15 49.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -49.32 -41.66 39.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.44 -49.99 74.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.87 -42.43 89.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 38' ' ' ASP . 58.9 t -61.79 -49.72 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.86 -52.74 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.49 -47.61 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.701 ' HG3' HD11 ' A' ' 32' ' ' LEU . 69.0 mm-40 -67.25 -46.26 74.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.4 t -56.45 -40.92 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.31 -49.04 70.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD2' ' NE2' ' A' ' 25' ' ' GLN . 7.3 ptpp? -72.0 -30.14 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.686 HD13 ' HG3' ' A' ' 25' ' ' GLN . 23.4 tp -66.8 -51.99 49.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.43 -42.9 44.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -57.46 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 43.8 mt -42.85 -34.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -60.42 -40.37 90.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.6 pttp -80.59 -36.47 32.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 16.4 mt-30 -60.53 -47.31 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 56' ' ' LEU . 1.4 tm? -56.85 -67.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.58 -62.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 54' ' ' LYS . 84.2 t -49.47 -52.61 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.15 -62.24 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -51.14 -40.19 57.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.09 27.18 5.46 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 0.0 110.864 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.791 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.822 0.344 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.503 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 14.2 mtmm -71.52 -59.97 2.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.532 0.682 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.75 2.86 3.15 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.791 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 14.2 tt0 -110.72 -46.06 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 5.9 pt20 -57.58 -44.28 85.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.459 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 70.2 mt -40.71 -59.28 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -46.84 -47.1 21.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.8 -59.31 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 mt -46.49 -51.09 16.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.7 mtm -41.22 -54.75 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -56.75 -43.9 81.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -56.78 -48.83 77.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.547 HG21 ' HG ' ' A' ' 56' ' ' LEU . 99.5 t -52.38 -45.25 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.9 m -67.44 -61.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -45.87 -48.87 15.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.593 ' OE1' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -44.37 -64.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.57 -37.65 3.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -72.82 -43.71 62.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.2 mt -56.76 -42.29 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' OE1' ' A' ' 25' ' ' GLN . 88.9 t -66.38 -41.68 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -60.28 -49.81 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 21.0 pt-20 -65.97 -44.51 84.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' A' ' 45' ' ' GLU . 11.8 mt -46.43 -46.11 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -68.57 -43.48 76.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.51 70.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -88.03 26.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt 40.37 41.81 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.4 150.39 49.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 42' ' ' VAL . 8.4 t70 -50.0 136.15 19.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -48.9 -58.83 4.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -52.76 -50.53 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -50.37 -53.06 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 38' ' ' ASP . 93.9 t -54.86 -47.89 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.7 71.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.91 -47.06 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' HG3' HD11 ' A' ' 32' ' ' LEU . 21.9 mm-40 -72.26 -43.41 64.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -43.24 -55.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.82 -56.31 23.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 49' ' ' LEU . 2.0 tmmm? -46.77 -45.97 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 25' ' ' GLN . 23.4 tp -49.86 -50.89 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -42.91 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -62.29 -49.03 77.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 mt -48.79 -50.28 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -46.13 -42.69 14.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' LEU . 37.2 mttp -68.29 -65.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -42.82 -23.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.547 ' HG ' HG21 ' A' ' 22' ' ' VAL . 1.7 tm? -84.55 -66.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -52.59 -58.19 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.6 t -44.12 -35.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.65 -43.6 46.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -84.42 26.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 40.18 46.69 3.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.502 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 24.7 mmmt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.84 0.353 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.634 ' CB ' ' CD ' ' A' ' 12' ' ' PRO . 2.0 mptm? -95.79 -70.6 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.75 -26.14 27.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.499 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -78.9 -51.61 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 5.4 pt20 -49.26 -27.14 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.664 HG22 ' SD ' ' A' ' 19' ' ' MET . 96.1 mt -46.94 -49.16 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -54.4 -34.06 60.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.55 -47.7 38.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 25.8 mt -59.58 -57.67 11.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.664 ' SD ' HG22 ' A' ' 15' ' ' ILE . 19.4 mtp -36.07 -57.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -49.27 -47.19 46.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -50.8 -51.28 52.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.57 -34.67 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.9 m -75.44 -61.61 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -50.63 -57.51 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.456 ' OE1' ' CE ' ' A' ' 48' ' ' LYS . 41.4 tp60 -39.97 -50.17 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.99 -49.33 55.81 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -56.62 -47.23 80.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.6 -60.7 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -44.48 -47.82 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CD ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -54.36 -47.32 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' OE1' ' CD ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -60.2 -39.45 86.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.858 ' HB3' HG22 ' A' ' 42' ' ' VAL . 24.9 mt -68.78 -47.88 65.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -65.67 -22.89 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.32 -16.61 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -110.13 15.56 22.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt 43.18 28.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.64 159.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 42' ' ' VAL . 5.9 t0 -54.35 136.83 43.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -55.33 -40.81 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -53.13 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.47 -53.2 60.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.858 HG22 ' HB3' ' A' ' 32' ' ' LEU . 61.4 t -56.6 -51.61 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' VAL . . . -37.48 -56.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.5 -48.47 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.36 -42.64 83.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.46 HG23 HG12 ' A' ' 42' ' ' VAL . 96.2 t -53.31 -55.97 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.72 -63.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.814 ' HE2' HD11 ' A' ' 52' ' ' LEU . 21.0 tttt -39.32 -41.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.04 -55.77 19.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.09 -20.92 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.92 -46.39 8.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.814 HD11 ' HE2' ' A' ' 48' ' ' LYS . 40.4 mt -48.0 -28.65 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -64.3 -36.57 84.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.1 pttp -81.24 -37.48 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.458 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 17.3 mt-30 -64.75 -47.62 77.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.803 HD13 ' OE1' ' A' ' 60' ' ' GLU . 2.4 tm? -55.09 -67.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 62' ' ' LYS . . . -39.21 -65.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 54' ' ' LYS . 89.7 t -39.89 -58.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -37.55 -48.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.803 ' OE1' HD13 ' A' ' 56' ' ' LEU . 7.5 mp0 -74.54 -41.05 61.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.23 14.12 9.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.573 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 3.7 pttm . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.822 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -45.9 -59.71 4.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.56 0.695 . . . . 0.0 110.873 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.822 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 5.2 tp-100 -105.24 -67.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' GLN . 14.4 pt20 -37.33 -29.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 13' ' ' GLN . 71.1 mt -52.52 -58.47 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -52.42 -42.15 63.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.3 70.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' CB ' HD23 ' A' ' 56' ' ' LEU . 15.2 mt -52.56 -49.04 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.427 ' HG2' HD21 ' A' ' 56' ' ' LEU . 10.2 mtm -44.18 -49.85 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.06 -42.77 95.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -55.59 -44.85 77.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.92 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.3 m -59.72 -57.25 13.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.177 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 14.8 ttmm -53.79 -60.14 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.486 ' CD ' ' NZ ' ' A' ' 48' ' ' LYS . 8.3 tp60 -46.5 -55.04 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.56 -35.78 5.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -81.98 -52.5 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 92.1 mt -49.3 -34.27 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 25' ' ' GLN . 90.6 t -70.17 -40.25 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -70.54 -51.63 27.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.74 -38.61 82.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.764 ' HB3' HG22 ' A' ' 42' ' ' VAL . 12.4 mt -53.39 -47.93 69.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -69.43 -37.29 77.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.42 85.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -87.82 23.41 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 44.14 44.37 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.51 171.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.432 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 8.9 t0 -66.07 130.0 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -48.61 -57.16 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -49.55 -49.18 47.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 7.6 mm-40 -53.73 -55.44 26.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.764 HG22 ' HB3' ' A' ' 32' ' ' LEU . 63.5 t -56.52 -55.48 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' VAL . . . -35.91 -59.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.39 -58.61 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.92 -30.71 25.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.3 t -78.72 -41.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.01 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' NZ ' ' CD ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -71.97 -41.29 67.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 52' ' ' LEU . 13.0 tp -53.22 -52.95 57.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -42.43 -41.95 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 -47.7 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 49' ' ' LEU . 35.3 mt -44.42 -45.85 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.69 -42.17 45.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 56' ' ' LEU . 17.7 mttm -69.17 -64.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.597 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 16.8 mt-30 -42.95 -24.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.536 ' C ' HD13 ' A' ' 56' ' ' LEU . 2.0 tm? -86.45 -68.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.23 -48.1 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.71 -50.86 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 55' ' ' GLN . . . -41.86 -53.91 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -66.86 -45.89 76.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.41 -33.69 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.866 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -89.76 129.18 36.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -131.79 146.92 52.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.87 -87.58 0.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -144.61 152.64 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.873 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -113.91 43.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.58 -174.74 38.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -109.14 156.62 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 111.119 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 t -109.33 143.97 38.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.913 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -153.17 159.67 42.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -67.85 -60.1 5.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.75 -12.29 32.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.913 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 23.5 mm-40 -85.42 -61.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -46.42 -40.66 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.3 mt -48.58 -53.79 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -52.17 -36.47 51.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.55 -42.62 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' GLU . 87.9 mt -59.23 -57.35 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.556 ' HG3' HD21 ' A' ' 56' ' ' LEU . 22.4 mtm -36.09 -51.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.17 -40.64 77.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' LEU . 5.2 mm-40 -62.53 -46.24 89.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.1 t -53.6 -39.49 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.9 m -72.65 -58.33 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HG2' HD11 ' A' ' 28' ' ' ILE . 62.4 tttt -50.89 -48.74 60.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG2' HD12 ' A' ' 52' ' ' LEU . 31.1 tp60 -52.77 -63.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.63 -40.02 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -71.51 -51.2 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.489 HD11 ' HG2' ' A' ' 24' ' ' LYS . 54.4 mt -50.86 -39.49 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' HA ' HD12 ' A' ' 32' ' ' LEU . 97.2 t -69.78 -34.64 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -66.17 -46.99 75.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.98 -37.22 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' A' ' 42' ' ' VAL . 20.7 mt -54.55 -49.03 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -73.39 -29.17 62.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -19.61 62.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -110.99 16.94 20.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm 53.04 45.66 28.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 152.5 30.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.47 132.16 47.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -46.04 -38.0 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -68.79 -46.55 68.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -59.63 -41.79 91.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 46' ' ' VAL . 87.1 t -66.11 -53.95 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.18 -48.66 9.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.69 -60.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -63.34 -46.51 86.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 42' ' ' VAL . 99.1 t -40.19 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.51 -52.48 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -49.41 -46.9 48.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.57 -56.2 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.9 mt -48.93 -30.12 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.04 -42.76 25.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.431 HD12 ' HG2' ' A' ' 25' ' ' GLN . 50.2 mt -53.4 -52.51 59.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -46.97 -41.39 16.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' O ' HG23 ' A' ' 58' ' ' VAL . 14.7 mttm -72.49 -60.33 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.466 ' O ' HD13 ' A' ' 18' ' ' LEU . 36.3 mt-30 -47.96 -21.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.556 HD21 ' HG3' ' A' ' 19' ' ' MET . 3.2 tm? -90.06 -57.3 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.66 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.437 HG22 ' HD3' ' A' ' 64' ' ' PRO . 34.7 t -51.12 -52.82 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.7 -49.34 28.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.59 -45.28 91.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.73 -33.05 1.08 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -64.7 144.1 98.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.78 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.81 148.61 65.16 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.8 Cg_endo -69.8 110.27 2.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.336 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' PRO . 18.6 mt-10 34.54 44.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.861 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -55.43 -64.09 2.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.861 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.73 -37.03 9.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.39 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -76.2 130.53 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.87 142.96 1.18 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -87.01 -49.16 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -51.31 43.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -67.49 99.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -99.83 151.37 21.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.7 p -42.03 -51.68 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 42.66 74.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 161.91 44.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.5 p -81.45 149.09 28.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.2 t -117.16 -56.21 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m -55.26 114.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -42.17 -50.83 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.83 58.01 1.89 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 m -143.54 176.87 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -50.0 126.12 13.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.08 167.72 38.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -121.08 141.62 50.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.164 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.5 p -92.94 157.01 16.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.545 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -157.51 152.52 25.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.497 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 24.2 mmtt -64.53 -60.04 9.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HA ' HD12 ' A' ' 15' ' ' ILE . 53.8 Cg_endo -69.73 1.62 4.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.545 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 15.9 tt0 -104.63 -35.53 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -71.25 -28.73 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 12' ' ' PRO . 75.3 mt -54.38 -61.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -43.79 -40.45 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.41 69.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.1 mt -58.44 -49.45 77.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.8 mtm -46.3 -51.8 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -54.19 -39.09 66.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.75 -53.44 40.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.3 t -52.26 -42.14 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.8 m -71.13 -58.85 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 11.3 ttmm -53.19 -60.24 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' HG2' HD12 ' A' ' 52' ' ' LEU . 38.1 tp60 -43.13 -50.83 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.01 -41.31 52.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -76.57 -12.98 60.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 95.8 mt -91.75 -35.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.56 -26.12 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' CG ' ' N ' ' A' ' 31' ' ' GLU . 8.8 ptm180 -72.23 -51.3 21.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 10.5 pt-20 -59.39 -38.63 81.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD13 ' HA ' ' A' ' 42' ' ' VAL . 14.5 mt -51.94 -60.27 3.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -56.01 -36.63 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -26.91 63.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 37' ' ' ALA . 35.9 mt-30 -95.43 25.68 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' GLN . 9.8 pttp 34.56 34.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . -57.28 155.07 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -50.77 123.21 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -28.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.25 -39.03 60.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.6 -40.14 84.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.637 ' HA ' HD13 ' A' ' 32' ' ' LEU . 45.0 t -68.04 -51.6 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.93 -52.62 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.6 -50.17 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.2 -46.17 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -51.3 -58.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.57 -52.06 11.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HD3' HD11 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -59.03 -60.17 4.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' A' ' 52' ' ' LEU . 20.7 tp -42.56 -48.98 5.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -54.29 -39.31 66.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.14 -19.51 56.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 49' ' ' LEU . 64.2 mt -80.05 -15.15 57.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -84.0 -27.82 28.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 58' ' ' VAL . 3.2 ptmm? -88.84 -35.72 16.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -65.51 -33.97 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -63.78 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.98 -47.47 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 54' ' ' LYS . 73.3 t -61.42 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.14 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.074 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -75.63 -30.57 59.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.62 27.58 26.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -106.75 143.95 28.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.674 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.77 148.72 65.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.9 Cg_endo -69.74 110.43 2.55 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' PRO . 5.9 mm-40 34.92 51.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.844 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -63.18 -65.54 2.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.563 0.696 . . . . 0.0 111.097 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.844 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.8 -50.38 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -115.14 107.61 15.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -158.41 -168.71 21.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -57.72 172.4 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -101.18 137.37 39.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 71' ' ' LYS . 26.7 mmtp -37.04 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -92.86 118.08 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.5 t -128.64 137.82 51.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.17 173.96 17.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -32.53 18.39 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.1 p -93.76 -178.92 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.3 t -148.07 154.19 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -92.01 110.53 21.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -84.38 -44.54 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.84 -173.52 17.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -56.25 106.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 m -67.53 108.75 2.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.98 -59.64 0.53 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.435 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -95.68 143.34 27.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.6 m -145.73 147.46 31.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.89 168.55 19.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 6.7 mptt -71.09 -59.93 3.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.545 0.688 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.79 0.19 6.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -106.38 -53.22 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 10.5 pt20 -52.02 -33.32 38.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 12' ' ' PRO . 57.5 mt -35.4 -44.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -67.07 -49.24 65.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.57 -34.9 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.42 HD23 ' OE2' ' A' ' 21' ' ' GLU . 17.7 mt -72.71 -63.04 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.664 ' HG3' HD21 ' A' ' 56' ' ' LEU . 36.9 mtm -41.99 -25.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.9 t70 -74.41 -56.58 4.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' OE2' HD23 ' A' ' 18' ' ' LEU . 7.9 pt-20 -63.49 -38.75 92.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.635 HG22 HD22 ' A' ' 52' ' ' LEU . 78.4 t -57.61 -48.71 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -49.27 -56.21 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.638 ' HG2' HD11 ' A' ' 28' ' ' ILE . 64.9 tttt -56.1 -38.16 70.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -49.58 -69.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.86 -34.11 10.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -66.99 -35.59 80.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.638 HD11 ' HG2' ' A' ' 24' ' ' LYS . 23.5 mt -70.62 -40.25 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.26 -34.78 68.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 ttm-85 -68.4 -53.62 22.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.14 -40.16 92.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 11.4 mt -55.3 -55.25 33.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -63.17 -40.55 97.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.88 -23.31 66.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -99.98 23.59 9.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.42 37.55 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.58 158.59 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 41' ' ' GLU . 6.3 t0 -57.21 118.88 5.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -38.46 -50.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -66.06 -40.83 91.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 4.9 tp10 -61.41 -28.83 69.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -75.3 -37.91 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.83 -51.02 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.85 -43.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 32' ' ' LEU . 45.4 mm-40 -75.69 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.1 t -46.96 -25.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.79 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -82.27 -23.0 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -72.47 -36.75 68.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.91 -42.07 88.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.51 -46.42 54.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.635 HD22 HG22 ' A' ' 22' ' ' VAL . 14.9 mt -48.48 -53.47 17.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -40.78 -45.34 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -69.58 -65.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -41.84 -27.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.664 HD21 ' HG3' ' A' ' 19' ' ' MET . 2.4 tm? -83.71 -65.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.91 -54.17 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.4 t -52.56 -46.5 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.83 -41.1 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.0 -45.32 92.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.77 -36.0 0.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -43.91 145.12 1.31 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.71 67.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -163.93 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' ALA . 1.2 mp0 -75.93 52.91 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -34.0 -60.98 0.44 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 53.0 Cg_endo -69.77 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.71 2.274 . . . . 0.0 112.313 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -86.02 59.59 5.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.89 44.53 1.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -48.16 125.71 9.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -119.22 122.82 42.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -107.1 -57.86 2.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -138.82 169.81 17.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 m -114.46 158.71 21.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.84 83.37 0.34 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 178.32 4.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.393 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.8 m -97.28 -53.14 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.7 p -51.66 133.07 31.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -87.5 134.71 33.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t 42.74 41.45 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.63 64.32 0.57 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -89.98 91.73 8.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 t -60.77 -40.86 94.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.95 -39.22 1.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -71.32 151.66 43.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 m -120.64 96.64 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -103.62 161.99 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -64.28 -59.97 9.72 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.78 -6.39 18.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.636 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 83.9 mm-40 -96.92 -57.67 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 10.1 pt20 -45.26 -29.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.75 HG22 ' SD ' ' A' ' 19' ' ' MET . 73.5 mt -42.19 -58.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -50.86 -52.65 39.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.25 -22.32 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.828 ' O ' HG23 ' A' ' 22' ' ' VAL . 25.5 mt -88.07 -54.73 4.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.75 ' SD ' HG22 ' A' ' 15' ' ' ILE . 30.0 mtp -47.63 -42.42 24.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -58.58 -62.87 1.53 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 8.6 pt-20 -52.88 -45.19 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 18' ' ' LEU . 48.0 t -53.37 -40.13 38.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.5 m -68.14 -61.16 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -49.64 -52.56 29.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.54 ' HG2' HD12 ' A' ' 52' ' ' LEU . 7.4 tp-100 -45.01 -58.48 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.97 -52.85 9.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -52.99 -49.47 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -54.43 -39.73 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -68.55 -42.06 83.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.58 -50.32 74.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.34 -41.11 96.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -53.1 -40.39 64.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -72.63 -40.01 66.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.34 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.6 pt20 -96.04 23.44 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER 33.99 41.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.31 161.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.72 119.21 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -39.51 -68.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.5 OUTLIER -40.1 -52.88 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -54.19 -53.65 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.406 HG12 HG23 ' A' ' 46' ' ' VAL . 85.8 t -52.89 -49.85 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.05 -42.91 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.91 -49.83 15.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.61 -45.06 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG23 HG12 ' A' ' 42' ' ' VAL . 83.8 t -45.38 -66.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -48.54 -45.51 37.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -56.0 -52.03 65.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.38 -46.39 80.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 47' ' ' ALA . 22.9 mt -51.4 -24.24 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -88.44 -43.1 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.54 HD12 ' HG2' ' A' ' 25' ' ' GLN . 18.2 mt -52.2 -20.61 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -74.53 -31.62 62.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 58' ' ' VAL . 2.9 ptmt -81.76 -36.66 28.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 10.5 mt-30 -69.41 -41.96 75.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.483 HD21 ' HG3' ' A' ' 19' ' ' MET . 2.0 tm? -65.16 -65.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -42.32 -59.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 54' ' ' LYS . 95.7 t -47.61 -56.05 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.76 -41.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.47 -41.98 31.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.05 -3.33 3.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.532 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 1.4 mptm? -63.3 144.67 97.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 153.49 68.72 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' ALA . 23.7 mt-10 -75.99 51.9 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.889 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -34.0 -67.21 0.21 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.699 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.889 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 53.2 Cg_endo -69.8 -50.64 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -59.66 111.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.73 103.26 2.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -81.13 124.72 29.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 48.12 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -141.34 147.8 38.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 157.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 t -156.92 150.14 24.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.5 81.3 0.31 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 91.53 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -135.64 152.04 50.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -133.58 159.84 39.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -84.7 42.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.872 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -151.69 133.02 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.78 64.03 0.31 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.531 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -77.82 124.74 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.821 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -82.35 162.2 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.69 -68.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -95.72 139.16 32.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 111.148 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -76.58 116.55 17.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.926 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -127.04 152.56 47.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 2.4 mmmp? -67.78 -60.01 5.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.7 -1.27 8.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.926 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 35.0 mt-30 -104.81 -43.05 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -59.19 -26.72 65.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 12' ' ' PRO . 70.3 mt -45.31 -58.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -49.94 -56.69 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.17 -37.89 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 55' ' ' GLN . 31.0 mt -70.51 -54.72 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.9 mtm -50.11 -26.59 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -73.69 -57.16 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.482 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 17.9 pt-20 -61.48 -40.44 94.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.62 -52.5 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -51.91 -56.19 15.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 25.2 ttpt -52.1 -58.3 6.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.748 ' O ' HG23 ' A' ' 29' ' ' VAL . 32.2 tp60 -56.5 -35.07 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.51 -54.72 18.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.473 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 24' ' ' LYS . 1.3 p30 -61.33 -35.62 77.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.42 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 70.5 mt -62.81 -40.42 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 25' ' ' GLN . 91.7 t -67.01 -35.42 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 ttp85 -67.51 -49.03 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 14.2 pt-20 -62.68 -42.22 99.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB3' HG22 ' A' ' 42' ' ' VAL . 15.9 mt -50.76 -52.14 43.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.45 -46.91 83.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.27 70.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 82.4 mt-30 -89.28 26.58 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' GLN . 8.9 ptmm? 34.31 42.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.65 155.19 38.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -53.27 132.05 38.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -46.63 -52.34 13.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -56.63 -46.45 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -59.09 -46.27 88.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.566 HG22 ' HB3' ' A' ' 32' ' ' LEU . 84.5 t -66.41 -39.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -56.3 -59.26 5.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -37.18 -38.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -75.57 -45.76 35.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.8 -40.61 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.31 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -74.1 -29.43 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.711 HD22 HG21 ' A' ' 29' ' ' VAL . 9.6 tp -67.24 -50.2 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.7 mt -46.93 -41.79 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -68.84 -41.14 78.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 49' ' ' LEU . 22.1 mt -56.03 -34.34 65.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -55.04 -42.53 72.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' LEU . 75.9 mttt -68.38 -60.89 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.525 ' O ' HD13 ' A' ' 18' ' ' LEU . 39.8 mt-30 -43.34 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -87.15 -67.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.17 -53.2 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.89 -43.94 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.22 -60.5 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.78 -37.23 78.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.424 ' C ' ' HE2' ' A' ' 62' ' ' LYS . . . 112.71 25.6 4.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' HE2' ' C ' ' A' ' 61' ' ' GLY . 6.2 mmpt? -92.87 143.94 27.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.586 0.707 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 146.06 59.42 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -175.18 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.402 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 3.8 tp10 -40.58 -45.84 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 66.91 54.03 0.77 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.76 161.88 44.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -90.33 121.3 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.45 82.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.445 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -73.14 -36.02 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -81.1 48.8 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -44.98 -51.05 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -107.15 150.9 26.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 t -86.07 111.66 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.63 -171.79 22.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 103.99 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.1 p -130.73 154.73 47.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.1 p -167.5 175.31 7.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' GLY . 46.8 m -38.63 114.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -141.21 126.22 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.65 121.26 1.01 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -76.61 101.12 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -87.39 88.2 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.06 57.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.9 p -108.71 173.38 6.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.8 m -98.94 101.46 12.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.665 ' HB3' ' CG ' ' A' ' 13' ' ' GLN . . . -162.68 155.97 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -71.33 -59.96 2.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.908 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.679 ' HA ' HD12 ' A' ' 15' ' ' ILE . 52.9 Cg_endo -69.79 2.09 3.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.665 ' CG ' ' HB3' ' A' ' 10' ' ' ALA . 96.2 mm-40 -101.67 -53.26 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 9.5 pt20 -53.01 -40.13 63.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 12' ' ' PRO . 79.4 mt -40.47 -62.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -45.18 -44.02 10.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.38 81.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.042 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.584 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 16.4 mt -60.16 -64.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.5 mtm -41.75 -36.44 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.09 -59.57 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 9.1 pt-20 -59.65 -39.74 85.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.874 HG21 HD23 ' A' ' 56' ' ' LEU . 96.6 t -56.29 -39.89 62.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.8 m -71.7 -59.06 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -46.95 -42.66 18.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.53 ' HG2' HD12 ' A' ' 52' ' ' LEU . 9.4 tp-100 -46.98 -58.29 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.06 -40.38 28.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -62.22 -43.62 98.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.498 HG22 ' CD1' ' A' ' 32' ' ' LEU . 54.1 mt -63.92 -44.47 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.83 -37.6 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -70.19 -52.09 26.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -38.74 92.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CD1' HG22 ' A' ' 28' ' ' ILE . 13.8 mt -53.35 -47.47 69.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -62.39 -44.74 95.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.32 -36.94 71.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -86.81 26.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 39.11 40.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.63 158.5 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.42 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 36.0 t70 -62.63 131.93 50.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -46.03 -50.89 14.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -56.72 -53.97 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 5.9 mm-40 -51.79 -49.75 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.82 -48.06 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.25 -41.87 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.79 -61.19 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.477 ' OE2' HG21 ' A' ' 28' ' ' ILE . 4.9 mm-40 -55.65 -36.14 66.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.6 t -57.39 -63.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.19 -52.41 44.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -54.31 -52.69 60.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.776 ' HA ' HD12 ' A' ' 52' ' ' LEU . 28.4 tp -52.91 -48.79 66.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.9 mt -45.9 -39.51 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' LYS . 84.2 m-20 -73.61 -50.17 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 49' ' ' LEU . 38.0 mt -42.25 -36.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -60.34 -39.9 88.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -84.34 -34.93 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 21.7 mt-30 -65.67 -37.54 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 22' ' ' VAL . 1.4 tm? -63.01 -51.38 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.95 83.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 54' ' ' LYS . 96.4 t -55.35 -54.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -45.05 -47.06 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.83 -43.64 75.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.91 -39.91 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -57.66 146.68 64.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.26 38.91 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.5 Cg_endo -69.76 -174.34 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' PRO . 26.1 mt-10 -35.47 -47.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 64.3 54.35 1.43 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.9 Cg_endo -69.76 -178.23 2.25 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -85.61 159.74 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 155.82 -81.75 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -125.32 40.42 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.22 154.23 28.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -124.97 -36.73 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' LYS . 5.8 ptmm? 33.86 40.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 t -42.69 -51.32 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.12 -161.66 3.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.35 4.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.217 . . . . 0.0 112.382 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.4 p -56.21 148.68 17.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.5 p -96.67 -50.68 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -163.97 149.1 10.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.822 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -47.3 -44.34 23.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.01 68.56 0.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -70.65 -55.32 9.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.881 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -70.95 98.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.8 -104.9 2.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 p -86.25 38.3 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.3 p -99.23 -50.24 4.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.728 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -88.18 141.03 28.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.085 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 31.9 mmtt -63.72 -59.97 10.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.55 0.691 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.64 ' HA ' HD12 ' A' ' 15' ' ' ILE . 53.4 Cg_endo -69.78 -0.21 6.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.728 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 33.9 tp60 -103.1 -47.68 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 12.4 pt20 -57.97 -31.88 67.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.72 ' HA ' HD12 ' A' ' 18' ' ' LEU . 87.0 mt -44.13 -61.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -46.5 -48.42 19.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.16 83.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.962 HD13 ' HA ' ' A' ' 56' ' ' LEU . 28.0 mt -50.17 -55.32 15.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.418 ' HG2' HD11 ' A' ' 56' ' ' LEU . 59.3 mtm -52.83 -41.12 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -62.45 -50.29 72.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -48.46 -56.12 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -44.22 -42.69 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 m -63.24 -67.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 4.0 tppt? -54.93 -63.83 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -48.36 -35.29 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.7 -49.83 57.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 28' ' ' ILE . 3.4 p30 -69.7 -33.74 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.5 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 12.0 mt -60.27 -42.52 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.69 -44.18 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -57.71 -50.5 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 17.0 pt-20 -61.91 -42.19 98.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB3' HG22 ' A' ' 42' ' ' VAL . 13.2 mt -47.62 -52.23 18.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -63.96 -38.56 91.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.29 91.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.132 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -85.77 27.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? 44.22 48.06 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.48 166.72 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.41 130.69 41.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -48.97 -46.46 43.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -47.96 83.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.6 -50.57 73.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 46' ' ' VAL . 77.8 t -57.23 -45.25 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.74 -49.61 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.19 -54.49 6.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.24 -45.8 83.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 42' ' ' VAL . 81.9 t -47.28 -59.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.4 -56.9 10.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -49.58 -54.49 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 52' ' ' LEU . 41.9 tp -47.43 -49.53 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -53.35 -42.78 67.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -62.83 -37.25 86.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 49' ' ' LEU . 74.9 mt -63.23 -29.7 70.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -67.31 -36.63 81.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.1 ptmm? -87.56 -33.95 18.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.433 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 22.5 mt-30 -63.67 -41.0 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.962 ' HA ' HD13 ' A' ' 18' ' ' LEU . 3.6 tt -63.6 -64.96 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.25 -53.84 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 54' ' ' LYS . 94.1 t -48.85 -43.31 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.61 -57.49 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -53.03 -39.17 62.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.31 24.33 2.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 148.85 51.91 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 148.66 65.51 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.7 Cg_endo -69.74 -174.31 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.359 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 64' ' ' PRO . 2.7 pt-20 -34.35 -49.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.454 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 59.12 53.73 4.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.9 Cg_endo -69.73 -13.69 35.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -72.01 123.93 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.34 179.67 17.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 tptm 50.32 42.16 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -113.93 153.85 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -126.48 -58.82 1.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? 44.32 41.73 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -81.25 143.56 32.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.29 -92.08 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.16 6.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 0.0 112.39 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 t -86.39 176.54 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -65.15 171.66 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t -155.74 108.02 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -113.01 156.3 23.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.815 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.46 174.51 33.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -61.65 120.75 11.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -127.86 -50.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.46 -92.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.434 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.8 p 39.67 36.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 111.157 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m -85.63 120.99 27.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.852 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -137.96 156.23 48.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.534 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -65.96 -58.37 11.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.589 0.709 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.76 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.852 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 4.9 mm-40 -91.67 -46.63 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -57.83 -25.99 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 12' ' ' PRO . 89.4 mt -45.15 -55.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -48.49 -47.31 38.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.47 -33.02 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 20' ' ' ASP . 36.9 mt -80.36 -62.91 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.1 mtm -39.8 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.5 t0 -77.5 -65.53 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.22 -47.36 75.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.524 HG22 ' HB3' ' A' ' 52' ' ' LEU . 70.2 t -49.6 -45.93 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.6 m -58.21 -61.51 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.583 ' HD3' HD11 ' A' ' 28' ' ' ILE . 15.4 ttmm -48.08 -48.36 33.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' HG2' HD12 ' A' ' 52' ' ' LEU . 53.3 tp60 -42.31 -57.14 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.32 -48.19 27.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.76 -45.59 91.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.583 HD11 ' HD3' ' A' ' 24' ' ' LYS . 77.1 mt -53.26 -41.63 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.69 -45.65 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -60.47 -47.62 85.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.79 -45.55 78.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.24 -55.33 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -58.68 -41.67 86.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.14 -22.89 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' LYS . 44.8 mt-30 -94.47 26.96 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' GLN . 17.0 pttm 37.83 40.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 160.8 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.53 140.28 54.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -52.09 -47.75 65.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -63.58 -44.15 94.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -46.94 72.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.8 t -67.62 -50.92 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.94 -44.69 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.33 -50.08 68.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -63.58 -47.74 80.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.1 t -49.9 -57.28 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.84 -43.2 65.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -62.21 -52.21 64.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.9 tp -41.95 -38.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.2 mt -59.96 -56.54 20.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -53.83 -29.73 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HB3' HG22 ' A' ' 22' ' ' VAL . 36.6 mt -78.03 -30.26 49.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -76.26 -27.72 56.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 58' ' ' VAL . 10.7 pttp -84.55 -34.45 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -73.16 -47.13 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -56.29 -48.5 76.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.25 37.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 54' ' ' LYS . 98.9 t -57.24 -47.9 83.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.85 -49.28 8.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.3 -43.87 72.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.02 -40.12 0.86 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -66.99 144.41 98.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.93 64.62 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.7 Cg_endo -69.76 -175.49 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.529 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 1.6 mp0 -35.66 -48.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 73.37 54.26 0.29 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.611 0.719 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.77 -47.73 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.99 42.75 28.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.36 166.97 12.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 71' ' ' LYS . 9.7 mmtp -81.02 143.6 32.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -43.03 166.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -57.21 4.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.1 pttm 41.63 37.51 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.7 m -70.25 139.59 52.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.02 148.9 6.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.31 23.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 m -75.64 122.01 23.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -111.54 -57.21 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.498 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -77.69 90.71 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -158.41 109.58 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.32 107.18 0.31 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -167.59 162.53 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.836 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -167.34 162.88 15.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.39 122.94 7.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -148.72 132.3 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 111.11 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.6 m -115.33 95.73 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -137.33 159.8 40.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -67.85 -59.97 5.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.921 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.71 2.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.405 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' CD ' ' C ' ' A' ' 13' ' ' GLN . 1.5 tm0? -105.05 -55.2 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 15.5 pt20 -50.06 -33.5 18.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 97.0 mt -47.26 -57.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -47.03 -56.3 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.37 -45.27 65.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.11 -58.91 6.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.2 mtm -44.63 -24.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -82.24 -65.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -55.92 -49.9 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.551 HG21 HD23 ' A' ' 56' ' ' LEU . 95.6 t -51.5 -47.81 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -64.96 -57.19 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -46.29 -47.79 18.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.531 ' HG2' HD12 ' A' ' 52' ' ' LEU . 38.3 tp60 -54.4 -50.23 68.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.38 -35.39 60.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' HA ' ' CD ' ' A' ' 30' ' ' ARG . 65.9 m-20 -73.42 -18.04 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.9 mt -85.09 -31.77 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.94 -37.99 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.475 ' CD ' ' HA ' ' A' ' 27' ' ' ASN . 15.7 ptm180 -56.57 -49.53 74.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 8.4 pt-20 -67.69 -37.77 82.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 15.8 mt -53.69 -47.53 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -73.0 -27.76 61.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.55 -6.07 54.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -116.42 26.72 9.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 mttm 40.67 34.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.75 171.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -72.14 131.5 42.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -45.5 -42.08 10.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -66.95 -47.4 71.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.74 -45.12 82.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.27 -60.61 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.45 -46.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.38 -56.83 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.4 -41.9 93.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' ALA . 95.9 t -52.7 -64.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -34.2 -43.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -73.15 -49.94 25.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.9 -48.86 60.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -55.06 -34.96 64.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -78.63 -23.81 45.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD12 ' HG2' ' A' ' 25' ' ' GLN . 36.9 mt -77.11 -23.58 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -73.35 -32.58 64.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -83.16 -34.69 25.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.454 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 34.6 mt-30 -66.6 -38.52 87.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.551 HD23 HG21 ' A' ' 22' ' ' VAL . 1.3 tm? -61.18 -57.09 13.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.25 -46.71 72.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 54' ' ' LYS . 70.1 t -53.47 -56.37 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.85 -53.02 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.68 -36.04 81.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.45 30.34 14.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -113.51 143.97 30.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 152.59 69.38 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -162.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -73.79 60.79 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.921 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -45.45 -68.49 0.29 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.921 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.81 -51.19 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.694 2.262 . . . . 0.0 112.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -49.79 -57.46 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.966 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.29 -168.4 44.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -86.22 151.08 23.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -120.66 41.76 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -80.52 -54.7 5.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.21 154.82 20.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.5 p -128.72 143.11 50.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.25 80.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -25.86 28.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.2 m -135.58 164.89 26.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.2 t -76.9 126.83 31.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m 60.52 43.91 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t 38.89 41.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.04 124.22 5.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -60.43 117.17 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.83 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -130.13 176.69 7.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.793 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -137.67 -90.23 0.24 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.519 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.0 t 33.63 40.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.342 . . . . 0.0 111.116 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -56.71 167.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.844 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -158.88 157.21 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 13.8 mmtp -69.56 -60.01 4.28 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.558 0.694 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.627 ' HA ' HD12 ' A' ' 15' ' ' ILE . 53.6 Cg_endo -69.8 -0.74 7.39 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.844 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 19.2 mm-40 -102.75 -47.59 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -56.85 -34.93 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 12' ' ' PRO . 44.8 mt -52.31 -59.36 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -47.85 -34.06 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.2 -52.79 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 55' ' ' GLN . 12.1 mt -54.47 -49.01 71.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.465 ' CG ' HD21 ' A' ' 56' ' ' LEU . 9.1 mtm -42.74 -49.54 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -65.08 -38.14 89.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.74 -47.21 83.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.29 -47.87 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.2 m -63.38 -53.74 47.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -57.98 -59.69 4.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 28' ' ' ILE . 23.8 tp60 -44.32 -46.1 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.74 -37.0 93.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -67.25 -41.04 86.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 25' ' ' GLN . 58.7 mt -56.91 -37.91 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.19 -40.69 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.74 -56.93 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 1.9 pp20? -58.62 -35.53 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HB3' HG22 ' A' ' 42' ' ' VAL . 12.9 mt -57.83 -47.64 82.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -63.93 -43.22 96.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.55 71.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 31' ' ' GLU . 39.8 mt-30 -87.2 26.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt 40.8 43.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.19 155.74 36.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.05 132.23 53.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -47.89 -48.75 31.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -56.29 -42.95 78.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -61.07 -45.42 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.588 HG22 ' HB3' ' A' ' 32' ' ' LEU . 57.8 t -66.62 -52.8 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.34 -57.51 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.31 -54.32 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -55.54 -48.96 73.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.2 t -50.14 -58.03 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.14 -53.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -55.75 -54.55 43.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.4 tp -47.36 -50.42 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.4 -46.6 13.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.76 -54.47 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.5 mt -42.55 -40.28 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -48.81 -42.24 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER -77.79 -38.06 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.51 ' O ' HD13 ' A' ' 18' ' ' LEU . 47.9 mt-30 -58.5 -26.94 63.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD21 ' CG ' ' A' ' 19' ' ' MET . 2.6 tm? -79.31 -62.66 1.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.91 -50.61 68.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.572 ' CG1' ' N ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -51.94 -47.24 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.572 ' N ' ' CG1' ' A' ' 58' ' ' VAL . . . -47.88 -45.81 30.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -72.17 -37.86 69.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.63 -18.72 4.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -65.31 143.91 98.87 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.553 0.692 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 148.48 64.88 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -173.71 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -46.5 -32.2 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 50.72 52.79 12.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.657 0.741 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.78 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.622 2.214 . . . . 0.0 112.34 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -173.94 141.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.88 97.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -122.02 149.21 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -50.49 110.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -156.45 135.75 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' LYS . 5.8 ptmm? -35.45 133.46 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -96.49 168.4 10.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -174.31 76.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -2.09 9.6 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -47.75 103.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.8 p 38.84 42.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t 66.03 42.28 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -72.28 128.28 35.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.33 68.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -128.94 112.59 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -121.05 94.84 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.01 104.53 2.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.484 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 8.9 t -51.76 133.83 31.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.893 0.378 . . . . 0.0 111.128 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.6 p -76.55 115.19 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.659 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -149.64 147.03 27.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 3.0 tptp -60.6 -59.54 13.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.553 0.692 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.79 -2.74 10.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.659 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 1.3 tm0? -97.01 -62.77 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -38.45 -26.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' GLN . 70.6 mt -42.51 -58.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -45.69 -38.76 7.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.2 -30.37 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.93 -56.1 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.509 ' HG2' HD21 ' A' ' 56' ' ' LEU . 40.2 mtm -50.55 -34.06 24.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.82 -56.19 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 11.3 pt-20 -62.79 -33.68 75.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 52' ' ' LEU . 31.3 t -65.13 -55.71 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 m -48.55 -60.98 2.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG2' HD11 ' A' ' 28' ' ' ILE . 20.4 tttp -49.26 -54.4 17.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HA ' HD12 ' A' ' 28' ' ' ILE . 58.4 tp60 -42.88 -43.94 4.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.15 -40.41 98.5 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -71.29 -45.15 63.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 25' ' ' GLN . 72.3 mt -48.47 -45.61 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.2 -40.5 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -61.0 -45.12 96.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 8.6 pt-20 -72.1 -36.66 69.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD11 ' HG3' ' A' ' 45' ' ' GLU . 16.0 mt -54.83 -49.53 70.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -67.07 -40.63 87.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.22 -25.61 68.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -94.35 26.42 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.1 mttm 42.04 35.65 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.91 152.25 28.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.8 t0 -60.57 139.04 57.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -46.66 -46.4 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -58.13 -54.07 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -54.79 -45.79 74.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 38' ' ' ASP . 52.3 t -63.76 -60.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -41.7 -49.58 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -37.34 -59.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HG3' HD11 ' A' ' 32' ' ' LEU . 5.1 mm-40 -66.05 -47.36 74.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.7 t -44.25 -51.1 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.82 -50.82 55.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' ASP . 22.4 ttmt -56.75 -61.47 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 tp -40.71 -46.93 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -51.57 -39.35 57.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' LYS . 84.4 m-20 -74.99 -55.51 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.487 ' CD2' ' OE2' ' A' ' 21' ' ' GLU . 10.2 mt -45.84 -37.35 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -53.81 -42.16 68.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -77.21 -33.15 56.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.436 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 14.0 mt-30 -64.88 -44.7 88.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -62.56 -60.81 3.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 62' ' ' LYS . . . -42.17 -62.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.9 t -51.87 -51.86 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.88 -45.55 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.15 -48.58 28.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.28 -22.55 2.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.45 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.58 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -76.15 152.57 84.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.64 26.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.236 . . . . 0.0 112.344 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -167.33 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.299 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -44.62 -30.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 53.84 53.55 10.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 54.3 Cg_endo -69.68 -169.26 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.364 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -97.06 109.05 21.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.3 120.82 3.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 150.44 30.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 72' ' ' LYS . 10.8 tmtt? -136.16 142.47 44.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 71' ' ' LYS . 1.7 mmpt? -123.95 158.98 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -159.96 107.49 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.2 t -133.88 148.85 51.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.05 -91.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 95.79 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.679 2.252 . . . . 0.0 112.343 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 t -70.18 -55.69 8.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.9 p -141.85 151.39 42.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -125.95 116.39 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -138.85 158.14 44.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.11 102.19 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 8' ' ' THR . 24.0 t -105.83 89.34 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 7' ' ' GLY . 25.5 m 59.82 34.48 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.07 66.62 0.33 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 5' ' ' SER . 13.1 t -158.82 145.14 16.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -136.26 147.29 47.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.947 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -114.65 155.37 26.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -70.16 -59.99 3.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.8 -12.85 33.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.738 2.292 . . . . 0.0 112.34 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.947 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 33.1 mt-30 -91.55 -55.21 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 15' ' ' ILE . 19.2 pt20 -51.46 -48.4 62.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.565 HG22 ' HE2' ' A' ' 19' ' ' MET . 60.5 mt -40.81 -60.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.552 ' HA ' ' HE2' ' A' ' 19' ' ' MET . 54.4 tp60 -47.8 -40.04 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -46.45 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.588 ' CD1' ' CB ' ' A' ' 59' ' ' ALA . 18.9 mt -58.15 -56.65 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE2' HG22 ' A' ' 15' ' ' ILE . 36.1 mtm -39.91 -47.57 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -62.38 -46.19 89.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -50.4 -51.37 46.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.87 -53.07 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.9 m -49.57 -49.14 47.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -66.76 -51.71 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 45' ' ' GLU . 14.6 tp60 -50.5 -59.1 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.59 -40.7 8.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -71.27 -40.21 71.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.12 -39.09 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.407 HG21 HD22 ' A' ' 49' ' ' LEU . 97.7 t -68.86 -38.55 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -62.14 -54.36 42.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.78 -42.5 97.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.552 ' HB3' HG22 ' A' ' 42' ' ' VAL . 12.5 mt -45.31 -49.59 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -65.3 -43.56 90.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -41.34 85.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -85.71 26.62 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.41 42.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.01 166.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.471 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 32.8 t0 -74.9 124.1 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -38.91 -53.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -58.68 -48.54 80.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 6.6 mm-40 -52.89 -49.44 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 32' ' ' LEU . 74.0 t -63.92 -46.02 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.91 -41.11 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -56.08 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB3' ' NE2' ' A' ' 25' ' ' GLN . 9.6 mm-40 -58.91 -34.65 71.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.15 -47.22 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.72 20.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -62.05 -35.27 78.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 22.7 tp -64.12 -70.96 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' LEU . 94.9 mt -35.1 -34.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -81.95 -44.7 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.7 mt -52.98 -34.63 56.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -56.93 -42.42 79.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.5 ptmt -72.91 -33.05 65.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 31.3 mt-30 -68.7 -49.81 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 tm? -50.89 -52.14 44.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.32 -53.22 60.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 54' ' ' LYS . 99.9 t -51.95 -55.57 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.588 ' CB ' ' CD1' ' A' ' 18' ' ' LEU . . . -42.35 -48.02 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -65.49 -43.4 90.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.93 -37.65 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -49.23 143.95 8.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 161.08 47.31 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.8 Cg_endo -69.79 -171.66 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 27.5 mt-10 -34.96 -48.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 72.79 53.24 0.29 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.78 160.07 51.06 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -63.6 151.65 41.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.77 -44.6 1.09 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.445 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -102.89 122.03 43.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -62.1 84.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 73' ' ' LYS . 6.0 ptmm? -77.3 122.72 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -31.32 132.79 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.2 t -61.35 -47.11 87.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.07 82.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -44.79 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 97.0 p -113.88 107.6 15.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 62.9 p -117.38 115.47 25.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -86.38 -179.67 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -154.53 131.6 10.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.26 -175.84 21.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -119.24 41.38 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 m -110.64 107.39 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.08 156.86 2.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 p -107.32 39.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.4 p -97.46 107.11 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.808 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . . . -162.24 134.41 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 13.4 mmtm -62.59 -59.94 11.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.78 -1.69 8.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.26 . . . . 0.0 112.356 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.808 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 13.1 tt0 -100.79 -56.03 2.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -48.89 -44.02 39.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' SD ' ' A' ' 19' ' ' MET . 96.1 mt -39.65 -57.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -51.92 -42.59 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.14 -54.8 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLU . 20.1 mt -51.95 -55.85 17.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.52 ' HG3' HD21 ' A' ' 56' ' ' LEU . 19.7 mtp -36.26 -57.95 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.45 -42.84 54.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' LEU . 34.3 mm-40 -59.52 -52.85 63.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.5 -42.04 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.5 m -66.65 -57.85 6.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' GLN . 28.0 ttpt -57.38 -58.46 8.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.633 ' HG2' HD12 ' A' ' 52' ' ' LEU . 42.9 tp60 -37.97 -57.73 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.28 -40.4 29.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -67.01 -44.89 79.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 25' ' ' GLN . 74.8 mt -51.51 -42.87 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -62.84 -41.87 94.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -61.95 -53.23 58.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.83 -39.96 93.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.772 HD11 ' HG3' ' A' ' 45' ' ' GLU . 12.5 mt -48.62 -58.45 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -53.13 -45.23 68.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.82 72.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -86.83 26.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt 41.49 42.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.12 143.67 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.11 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.58 135.35 56.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -44.6 -36.65 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.459 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 46.7 t30 -66.36 -48.51 69.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -54.57 -41.46 69.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.525 ' HA ' HD13 ' A' ' 32' ' ' LEU . 57.6 t -69.8 -47.05 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.18 -46.15 11.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.54 -60.42 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.772 ' HG3' HD11 ' A' ' 32' ' ' LEU . 41.0 mm-40 -53.7 -43.58 69.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 42' ' ' VAL . 85.9 t -60.38 -49.02 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.84 -55.1 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 15.5 ptpt -62.29 -36.34 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 29.1 tp -58.57 -38.6 78.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.46 -45.5 91.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -70.04 -32.06 70.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.633 HD12 ' HG2' ' A' ' 25' ' ' GLN . 88.3 mt -66.87 -31.47 72.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -67.99 -36.87 80.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.694 ' O ' HG23 ' A' ' 58' ' ' VAL . 14.6 pttt -85.85 -35.69 20.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.43 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 6.5 mt-30 -60.06 -40.97 91.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.52 HD21 ' HG3' ' A' ' 19' ' ' MET . 2.4 tm? -59.14 -56.22 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.36 -55.6 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 54' ' ' LYS . 93.2 t -42.71 -60.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.22 -54.46 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -62.0 -36.17 80.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.55 31.08 6.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -102.31 161.38 23.52 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 53.3 Cg_endo -69.77 110.34 2.53 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.4 Cg_endo -69.8 107.57 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.284 . . . . 0.0 112.313 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' PRO . 9.0 mm-40 33.87 33.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.786 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -67.1 -60.99 5.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.557 0.694 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.77 -42.87 3.02 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.44 137.25 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.88 163.94 35.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 148.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -123.2 102.63 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -164.37 163.15 22.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.53 109.54 10.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.2 t -93.68 146.62 23.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.55 146.7 17.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 127.79 15.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.309 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -105.29 82.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.7 m -73.39 92.5 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -170.08 126.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -110.63 166.27 11.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.35 -168.12 30.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -83.0 -52.89 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -59.91 139.45 57.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.01 131.69 3.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -133.22 106.78 7.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.108 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 9' ' ' THR . 9.2 t -99.15 126.16 44.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . . . -125.69 157.25 37.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -66.12 -59.96 7.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.948 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.866 ' HA ' HD12 ' A' ' 15' ' ' ILE . 54.3 Cg_endo -69.72 -0.88 7.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.549 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 31.7 tt0 -99.69 -45.81 5.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -65.03 -35.96 82.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 12' ' ' PRO . 47.7 mt -47.26 -62.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -40.13 -41.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.61 -41.03 80.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 15' ' ' ILE . 44.3 mt -55.77 -45.53 78.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.4 mtm -55.52 -37.79 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -67.19 -48.61 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -47.26 -58.01 4.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.429 HG21 HD12 ' A' ' 56' ' ' LEU . 62.0 t -40.13 -45.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.2 m -58.35 -68.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -47.38 -51.77 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.911 ' OE1' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -51.18 -53.62 33.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.43 -45.93 29.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.97 -47.84 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 25' ' ' GLN . 60.8 mt -48.56 -54.85 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.507 ' HA ' HD12 ' A' ' 32' ' ' LEU . 99.4 t -52.56 -48.8 46.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -51.85 -40.53 60.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.15 -45.44 84.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.816 HD13 ' HA ' ' A' ' 42' ' ' VAL . 22.3 mt -54.0 -57.93 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -66.62 -17.76 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.5 -25.93 24.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -111.46 15.46 21.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm 47.54 45.32 17.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -55.4 161.89 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -55.45 136.94 49.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -39.11 -54.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.61 -39.63 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -60.27 -41.18 92.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.816 ' HA ' HD13 ' A' ' 32' ' ' LEU . 42.5 t -67.92 -52.52 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.24 -51.6 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.33 -40.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.773 ' HG3' HD11 ' A' ' 32' ' ' LEU . 41.0 mm-40 -82.08 -50.78 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.1 t -46.15 -54.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.86 -60.15 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -52.67 25.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.911 HD13 ' OE1' ' A' ' 25' ' ' GLN . 27.1 tp -45.07 -52.61 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -57.87 -31.0 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.57 -23.32 50.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.61 HD12 ' HG3' ' A' ' 25' ' ' GLN . 20.4 mt -74.79 -25.33 58.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -30.05 61.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 58' ' ' VAL . 9.8 ptmt -87.99 -36.12 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.79 -32.71 73.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.676 ' HA ' HD13 ' A' ' 18' ' ' LEU . 1.9 tt -72.78 -68.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.04 -60.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 54' ' ' LYS . 71.0 t -41.98 -44.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.472 ' HB1' HG12 ' A' ' 15' ' ' ILE . . . -65.94 -58.6 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -50.22 -33.45 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.65 14.36 23.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.73 151.84 68.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 53.5 Cg_endo -69.78 110.22 2.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.357 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.3 Cg_endo -69.81 105.06 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' HG3' ' CB ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER 37.84 27.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.906 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -69.8 -68.63 0.52 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.529 0.68 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.906 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 52.8 Cg_endo -69.78 2.76 3.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' CB ' ' HG3' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -67.32 -65.1 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -154.2 -58.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.559 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -55.94 144.8 27.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -149.42 135.97 19.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt 58.08 45.21 18.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -80.02 85.51 5.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.9 t -103.34 142.97 33.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.04 83.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.533 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 77' ' ' SER . 53.7 Cg_endo -69.79 -47.79 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.236 . . . . 0.0 112.331 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 76' ' ' PRO . 2.8 t 36.0 43.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.6 t -77.32 -62.37 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 44.9 t -35.18 110.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -79.34 -50.99 10.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.9 -168.11 27.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -170.64 165.91 8.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -75.99 119.97 20.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.62 122.57 7.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.5 p -60.98 158.43 13.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.0 p -68.54 86.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.897 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -106.23 147.25 29.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 6.9 mmtp -71.26 -59.92 3.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.623 ' HA ' HD12 ' A' ' 15' ' ' ILE . 54.3 Cg_endo -69.72 2.85 3.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.897 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -99.08 -58.09 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 27.3 pt20 -48.71 -37.02 17.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 12' ' ' PRO . 88.0 mt -38.56 -64.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -42.77 -48.45 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.8 -56.51 21.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.39 -50.99 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.3 mtm -41.37 -52.21 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -56.29 -37.96 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' CB ' HD22 ' A' ' 52' ' ' LEU . 49.8 mm-40 -59.43 -47.66 84.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 52' ' ' LEU . 90.3 t -56.98 -48.96 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.2 m -65.84 -57.5 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -52.08 -49.9 62.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.584 ' HB3' HD13 ' A' ' 49' ' ' LEU . 7.6 tp-100 -59.34 -52.37 65.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.21 -43.42 7.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -68.23 -47.24 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.9 mt -58.58 -40.1 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.996 HG21 HD22 ' A' ' 49' ' ' LEU . 86.4 t -68.93 -40.48 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -67.38 -49.96 61.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -64.88 -39.72 93.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD11 ' HG3' ' A' ' 45' ' ' GLU . 12.0 mt -50.74 -48.4 59.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -68.66 -43.52 76.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.27 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' A' ' 36' ' ' LYS . 32.8 mt-30 -89.32 27.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER 30.62 47.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.67 171.85 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -55.74 127.82 31.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -45.6 38.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -58.67 -51.08 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -54.7 -45.99 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 46' ' ' VAL . 99.4 t -58.55 -51.82 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.54 -52.78 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.51 -44.62 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' HG3' HD11 ' A' ' 32' ' ' LEU . 5.5 mm-40 -69.41 -41.82 75.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 42' ' ' VAL . 87.6 t -46.03 -56.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.5 -60.41 2.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -50.71 -64.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.996 HD22 HG21 ' A' ' 29' ' ' VAL . 32.6 tp -41.1 -60.47 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -39.56 -38.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.93 -34.73 51.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 49' ' ' LEU . 65.1 mt -62.9 -8.29 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -31.6 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.864 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.7 ptpt -90.81 -38.26 13.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -65.75 -38.32 88.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.3 -67.0 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.14 -51.36 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 54' ' ' LYS . 76.7 t -45.96 -57.46 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.66 -46.78 67.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -58.17 -39.54 79.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.46 29.85 4.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -111.11 155.73 42.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 127.32 14.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.38 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -40.1 -45.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 58.43 54.23 5.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.76 125.16 11.83 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.303 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -71.97 154.47 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 70' ' ' LYS . . . 131.09 127.82 2.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 69' ' ' GLY . 1.0 OUTLIER -34.38 139.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -169.36 142.26 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -110.4 148.71 31.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -99.45 164.91 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m 55.44 44.13 27.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.18 156.68 22.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.11 4.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.288 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -45.93 126.02 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.8 t -87.13 -45.98 10.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 t -148.15 151.63 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -103.89 92.69 4.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.22 -142.01 6.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -103.56 106.96 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.835 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.5 p -76.3 143.32 40.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.4 -92.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.443 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.0 p -66.71 108.35 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.139 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -40.51 141.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.757 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -144.84 130.4 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 7.2 tppt? -62.82 -59.38 12.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.752 ' HA ' HD12 ' A' ' 15' ' ' ILE . 54.1 Cg_endo -69.71 3.39 2.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.757 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 23.0 tt0 -99.61 -54.8 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -50.63 -36.29 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 12' ' ' PRO . 64.8 mt -43.12 -48.56 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -55.2 -48.94 73.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.18 82.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 22' ' ' VAL . 68.7 mt -55.64 -49.01 74.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.4 mtm -54.71 -32.31 59.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -71.67 -59.13 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.87 -47.79 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 18' ' ' LEU . 87.8 t -54.71 -55.09 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.1 m -53.71 -59.73 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -42.79 -45.53 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HA ' HD12 ' A' ' 28' ' ' ILE . 53.4 tp60 -53.0 -61.44 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.99 -45.1 2.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -63.21 -50.72 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 25' ' ' GLN . 78.6 mt -46.63 -51.02 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.03 -45.18 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -59.45 -37.24 77.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.21 -44.05 93.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' ' 42' ' ' VAL . 18.1 mt -56.74 -57.64 11.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -56.05 -35.13 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.27 -36.5 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' LYS . 45.6 mt-30 -97.28 24.26 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' GLN . 61.5 mttm 38.4 44.62 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . . . -56.18 172.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.92 131.13 42.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -45.91 -54.03 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -49.45 -44.59 45.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.57 -55.03 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.747 ' HA ' HD13 ' A' ' 32' ' ' LEU . 37.4 t -53.49 -47.15 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.36 -49.67 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.65 -46.72 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -67.35 -45.97 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 42' ' ' VAL . 96.9 t -48.48 -65.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -47.09 -51.22 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.608 ' HE3' HD11 ' A' ' 52' ' ' LEU . 49.0 tttp -53.46 -54.56 35.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.9 tp -40.21 -48.42 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 47' ' ' ALA . 35.0 mt -47.83 -59.88 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -53.67 -32.4 51.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.608 HD11 ' HE3' ' A' ' 48' ' ' LYS . 31.5 mt -73.93 -35.61 64.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -75.57 -30.71 59.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 58' ' ' VAL . 9.5 ptmt -83.63 -33.63 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -68.57 -43.93 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 56' ' ' LEU . 1.5 tm? -52.11 -65.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -41.47 -54.26 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 54' ' ' LYS . 87.8 t -50.0 -53.27 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.54 -49.3 56.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -64.41 -41.49 96.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.7 -36.34 0.92 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.548 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 34.0 mmtt -52.3 143.67 25.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.14 25.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.391 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -163.77 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 67' ' ' PRO . 56.0 mt-10 -78.27 46.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -26.48 91.1 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.53 ' N ' ' O ' ' A' ' 65' ' ' GLU . 53.6 Cg_endo -69.78 164.42 34.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -108.53 94.46 5.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.86 92.74 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 71' ' ' LYS . 18.3 pttp -130.04 156.67 44.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -34.55 144.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -40.57 134.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -40.24 130.77 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 t -79.17 129.3 34.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -114.87 66.57 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -176.99 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.258 . . . . 0.0 112.317 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.8 p -82.74 117.57 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 94.3 p -82.74 -35.68 26.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -46.09 152.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -52.85 -47.79 67.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.63 -103.03 1.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -112.97 177.05 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 m -57.44 -51.94 67.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.27 149.71 18.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.3 m -109.2 82.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 111.129 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 9' ' ' THR . 6.1 t -174.64 108.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -167.62 161.28 13.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 9.9 tptp -61.11 -59.87 12.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.76 -9.85 27.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.276 . . . . 0.0 112.309 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 42.6 tp60 -90.74 -55.22 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -45.69 -24.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.751 ' HA ' HD12 ' A' ' 18' ' ' LEU . 90.1 mt -54.29 -56.25 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.653 ' HA ' ' HE3' ' A' ' 19' ' ' MET . 50.7 tp60 -52.91 -46.5 68.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.2 -48.47 78.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 15' ' ' ILE . 12.9 mt -51.98 -56.3 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.653 ' HE3' ' HA ' ' A' ' 16' ' ' GLN . 29.8 mtm -38.88 -42.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.79 -42.39 95.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' LEU . 6.1 mm-40 -61.74 -48.9 78.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -54.64 -41.98 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.8 m -66.08 -58.79 4.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' GLN . 22.1 tttm -57.28 -59.53 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.686 ' HG3' HD13 ' A' ' 49' ' ' LEU . 28.0 tp60 -36.23 -61.34 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.16 -57.15 5.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -47.56 -52.89 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -50.43 -43.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.652 HG21 HD22 ' A' ' 49' ' ' LEU . 93.5 t -64.54 -44.82 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -50.16 74.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 9.0 pt-20 -65.57 -39.1 91.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.701 HD11 ' HG3' ' A' ' 45' ' ' GLU . 13.9 mt -49.27 -51.62 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -61.83 -43.94 97.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.11 73.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.101 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' LYS . 68.1 mt-30 -87.14 26.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' GLN . 27.2 mttm 35.85 41.87 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.45 156.16 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.0 t70 -60.63 131.15 49.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -49.32 -41.66 39.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.44 -49.99 74.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.87 -42.43 89.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 38' ' ' ASP . 58.9 t -61.79 -49.72 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.86 -52.74 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.49 -47.61 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.701 ' HG3' HD11 ' A' ' 32' ' ' LEU . 69.0 mm-40 -67.25 -46.26 74.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.4 t -56.45 -40.92 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.31 -49.04 70.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD2' ' NE2' ' A' ' 25' ' ' GLN . 7.3 ptpp? -72.0 -30.14 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.686 HD13 ' HG3' ' A' ' 25' ' ' GLN . 23.4 tp -66.8 -51.99 49.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.43 -42.9 44.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -57.46 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 43.8 mt -42.85 -34.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -60.42 -40.37 90.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.6 pttp -80.59 -36.47 32.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 16.4 mt-30 -60.53 -47.31 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 56' ' ' LEU . 1.4 tm? -56.85 -67.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.58 -62.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 54' ' ' LYS . 84.2 t -49.47 -52.61 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.15 -62.24 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -51.14 -40.19 57.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.09 27.18 5.46 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -102.11 161.01 24.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.03 52.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.308 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -164.28 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.533 ' O ' ' C ' ' A' ' 66' ' ' ALA . 1.3 mp0 -77.85 46.76 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -26.5 91.09 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.52 ' N ' ' O ' ' A' ' 65' ' ' GLU . 53.9 Cg_endo -69.76 2.16 3.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -116.69 159.76 21.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.71 -135.38 7.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.51 44.85 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.61 -57.74 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -110.23 155.21 22.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 74' ' ' SER . 33.9 ttpt -76.66 159.3 30.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.458 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 1.8 m -117.35 130.13 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.37 67.3 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 77' ' ' SER . 54.3 Cg_endo -69.7 1.26 4.55 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.326 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 76' ' ' PRO . 35.5 m -35.94 -54.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.1 p -135.5 122.52 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -110.66 85.1 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -157.88 142.15 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.8 -100.42 0.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -151.88 139.07 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.916 0.389 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -136.62 150.96 48.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.57 -41.41 0.32 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.1 m -108.76 148.96 29.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 0.0 111.14 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.8 m -78.71 117.11 19.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.791 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . . . -88.89 134.91 33.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 14.2 mtmm -71.52 -59.97 2.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.532 0.682 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.75 2.86 3.15 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.791 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 14.2 tt0 -110.72 -46.06 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 5.9 pt20 -57.58 -44.28 85.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.459 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 70.2 mt -40.71 -59.28 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -46.84 -47.1 21.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.8 -59.31 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 mt -46.49 -51.09 16.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.7 mtm -41.22 -54.75 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -56.75 -43.9 81.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -56.78 -48.83 77.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.547 HG21 ' HG ' ' A' ' 56' ' ' LEU . 99.5 t -52.38 -45.25 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.9 m -67.44 -61.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -45.87 -48.87 15.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.593 ' OE1' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -44.37 -64.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.57 -37.65 3.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -72.82 -43.71 62.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.2 mt -56.76 -42.29 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' OE1' ' A' ' 25' ' ' GLN . 88.9 t -66.38 -41.68 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -60.28 -49.81 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 21.0 pt-20 -65.97 -44.51 84.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' A' ' 45' ' ' GLU . 11.8 mt -46.43 -46.11 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -68.57 -43.48 76.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.51 70.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -88.03 26.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt 40.37 41.81 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.4 150.39 49.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 42' ' ' VAL . 8.4 t70 -50.0 136.15 19.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -48.9 -58.83 4.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -52.76 -50.53 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -50.37 -53.06 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 38' ' ' ASP . 93.9 t -54.86 -47.89 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.7 71.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.91 -47.06 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' HG3' HD11 ' A' ' 32' ' ' LEU . 21.9 mm-40 -72.26 -43.41 64.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -43.24 -55.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.82 -56.31 23.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 49' ' ' LEU . 2.0 tmmm? -46.77 -45.97 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 25' ' ' GLN . 23.4 tp -49.86 -50.89 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -42.91 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -62.29 -49.03 77.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 mt -48.79 -50.28 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -46.13 -42.69 14.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' LEU . 37.2 mttp -68.29 -65.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -42.82 -23.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.547 ' HG ' HG21 ' A' ' 22' ' ' VAL . 1.7 tm? -84.55 -66.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -52.59 -58.19 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.6 t -44.12 -35.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.65 -43.6 46.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -84.42 26.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 40.18 46.69 3.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.502 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 24.7 mmmt -91.5 151.42 42.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.4 59.89 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.248 . . . . 0.0 112.362 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -164.82 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 66' ' ' ALA . 38.6 mt-10 -78.09 49.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.53 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -26.5 91.06 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.607 0.717 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.527 ' N ' ' O ' ' A' ' 65' ' ' GLU . 54.4 Cg_endo -69.66 163.34 38.55 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.399 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -45.66 122.05 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.86 -94.69 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -150.67 140.46 21.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 155.32 23.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -128.25 88.81 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -111.18 70.5 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.9 p -74.66 -53.77 8.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.45 151.63 48.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -113.72 135.67 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.6 m -71.95 95.82 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -105.33 154.65 19.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 t -99.33 -59.34 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.33 40.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -131.29 131.14 43.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m 58.95 44.37 16.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.14 157.77 23.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -112.21 145.8 39.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.8 m -89.95 111.6 22.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . -108.16 162.33 14.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' CB ' ' CD ' ' A' ' 12' ' ' PRO . 2.0 mptm? -95.79 -70.6 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.75 -26.14 27.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.499 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -78.9 -51.61 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 5.4 pt20 -49.26 -27.14 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.664 HG22 ' SD ' ' A' ' 19' ' ' MET . 96.1 mt -46.94 -49.16 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -54.4 -34.06 60.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.55 -47.7 38.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 25.8 mt -59.58 -57.67 11.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.664 ' SD ' HG22 ' A' ' 15' ' ' ILE . 19.4 mtp -36.07 -57.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -49.27 -47.19 46.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -50.8 -51.28 52.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.57 -34.67 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.9 m -75.44 -61.61 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -50.63 -57.51 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.456 ' OE1' ' CE ' ' A' ' 48' ' ' LYS . 41.4 tp60 -39.97 -50.17 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.99 -49.33 55.81 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -56.62 -47.23 80.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.6 -60.7 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -44.48 -47.82 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CD ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -54.36 -47.32 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' OE1' ' CD ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -60.2 -39.45 86.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.858 ' HB3' HG22 ' A' ' 42' ' ' VAL . 24.9 mt -68.78 -47.88 65.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -65.67 -22.89 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.32 -16.61 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -110.13 15.56 22.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt 43.18 28.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.64 159.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 42' ' ' VAL . 5.9 t0 -54.35 136.83 43.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -55.33 -40.81 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -53.13 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.47 -53.2 60.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.858 HG22 ' HB3' ' A' ' 32' ' ' LEU . 61.4 t -56.6 -51.61 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' VAL . . . -37.48 -56.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.5 -48.47 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.36 -42.64 83.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.46 HG23 HG12 ' A' ' 42' ' ' VAL . 96.2 t -53.31 -55.97 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.72 -63.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.814 ' HE2' HD11 ' A' ' 52' ' ' LEU . 21.0 tttt -39.32 -41.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.04 -55.77 19.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.09 -20.92 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.92 -46.39 8.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.814 HD11 ' HE2' ' A' ' 48' ' ' LYS . 40.4 mt -48.0 -28.65 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -64.3 -36.57 84.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.1 pttp -81.24 -37.48 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.458 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 17.3 mt-30 -64.75 -47.62 77.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.803 HD13 ' OE1' ' A' ' 60' ' ' GLU . 2.4 tm? -55.09 -67.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 62' ' ' LYS . . . -39.21 -65.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 54' ' ' LYS . 89.7 t -39.89 -58.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -37.55 -48.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.803 ' OE1' HD13 ' A' ' 56' ' ' LEU . 7.5 mp0 -74.54 -41.05 61.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.23 14.12 9.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.573 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 3.7 pttm -111.02 148.69 39.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 148.68 65.41 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -163.85 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ALA . 31.7 mm-40 -75.94 52.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.818 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -34.24 -62.87 0.36 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.818 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 54.1 Cg_endo -69.7 -50.74 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.39 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -76.74 71.64 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.89 55.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -69.23 120.13 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -108.26 157.95 17.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -108.14 158.49 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -174.97 156.18 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.7 m 64.98 35.54 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.86 83.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.99 63.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m 47.39 40.77 11.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.1 t -119.91 121.71 39.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.528 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 t -130.77 109.87 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -123.43 41.51 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.64 99.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -112.86 -49.67 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.383 . . . . 0.0 110.85 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -147.34 122.52 10.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.66 91.32 0.54 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -46.56 141.59 3.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 t -83.16 145.26 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.822 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -168.96 118.51 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -45.9 -59.71 4.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.56 0.695 . . . . 0.0 110.873 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.822 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 5.2 tp-100 -105.24 -67.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' GLN . 14.4 pt20 -37.33 -29.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 13' ' ' GLN . 71.1 mt -52.52 -58.47 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -52.42 -42.15 63.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.3 70.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' CB ' HD23 ' A' ' 56' ' ' LEU . 15.2 mt -52.56 -49.04 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.427 ' HG2' HD21 ' A' ' 56' ' ' LEU . 10.2 mtm -44.18 -49.85 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.06 -42.77 95.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -55.59 -44.85 77.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.92 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.3 m -59.72 -57.25 13.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.177 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 14.8 ttmm -53.79 -60.14 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.486 ' CD ' ' NZ ' ' A' ' 48' ' ' LYS . 8.3 tp60 -46.5 -55.04 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.56 -35.78 5.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -81.98 -52.5 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 92.1 mt -49.3 -34.27 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 25' ' ' GLN . 90.6 t -70.17 -40.25 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -70.54 -51.63 27.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.74 -38.61 82.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.764 ' HB3' HG22 ' A' ' 42' ' ' VAL . 12.4 mt -53.39 -47.93 69.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -69.43 -37.29 77.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.42 85.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -87.82 23.41 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 44.14 44.37 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.51 171.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.432 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 8.9 t0 -66.07 130.0 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -48.61 -57.16 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -49.55 -49.18 47.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 7.6 mm-40 -53.73 -55.44 26.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.764 HG22 ' HB3' ' A' ' 32' ' ' LEU . 63.5 t -56.52 -55.48 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' VAL . . . -35.91 -59.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.39 -58.61 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.92 -30.71 25.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.3 t -78.72 -41.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.01 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' NZ ' ' CD ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -71.97 -41.29 67.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 52' ' ' LEU . 13.0 tp -53.22 -52.95 57.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -42.43 -41.95 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 -47.7 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 49' ' ' LEU . 35.3 mt -44.42 -45.85 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.69 -42.17 45.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 56' ' ' LEU . 17.7 mttm -69.17 -64.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.597 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 16.8 mt-30 -42.95 -24.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.536 ' C ' HD13 ' A' ' 56' ' ' LEU . 2.0 tm? -86.45 -68.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.23 -48.1 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.71 -50.86 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 55' ' ' GLN . . . -41.86 -53.91 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -66.86 -45.89 76.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.41 -33.69 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -57.96 142.56 79.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 148.69 65.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 0.0 112.331 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -176.78 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -38.99 -44.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 62.05 54.15 2.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 54.4 Cg_endo -69.71 94.52 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.401 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -45.68 139.63 3.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.98 -114.9 0.57 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -126.97 130.46 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.66 151.39 43.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 127.15 37.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 140.63 50.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 p 44.33 42.77 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.96 158.57 6.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -11.96 31.83 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.317 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.9 p -163.55 173.77 12.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 m 59.73 44.3 14.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.913 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.84 0.353 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -67.85 -60.1 5.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.75 -12.29 32.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.913 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 23.5 mm-40 -85.42 -61.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -46.42 -40.66 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.3 mt -48.58 -53.79 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -52.17 -36.47 51.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.55 -42.62 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' GLU . 87.9 mt -59.23 -57.35 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.556 ' HG3' HD21 ' A' ' 56' ' ' LEU . 22.4 mtm -36.09 -51.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.17 -40.64 77.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' LEU . 5.2 mm-40 -62.53 -46.24 89.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.1 t -53.6 -39.49 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.9 m -72.65 -58.33 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HG2' HD11 ' A' ' 28' ' ' ILE . 62.4 tttt -50.89 -48.74 60.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG2' HD12 ' A' ' 52' ' ' LEU . 31.1 tp60 -52.77 -63.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.63 -40.02 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -71.51 -51.2 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.489 HD11 ' HG2' ' A' ' 24' ' ' LYS . 54.4 mt -50.86 -39.49 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' HA ' HD12 ' A' ' 32' ' ' LEU . 97.2 t -69.78 -34.64 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -66.17 -46.99 75.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.98 -37.22 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' A' ' 42' ' ' VAL . 20.7 mt -54.55 -49.03 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -73.39 -29.17 62.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -19.61 62.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -110.99 16.94 20.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm 53.04 45.66 28.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 152.5 30.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.47 132.16 47.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -46.04 -38.0 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -68.79 -46.55 68.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -59.63 -41.79 91.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 46' ' ' VAL . 87.1 t -66.11 -53.95 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.18 -48.66 9.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.69 -60.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -63.34 -46.51 86.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 42' ' ' VAL . 99.1 t -40.19 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.51 -52.48 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -49.41 -46.9 48.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.57 -56.2 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.9 mt -48.93 -30.12 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.04 -42.76 25.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.431 HD12 ' HG2' ' A' ' 25' ' ' GLN . 50.2 mt -53.4 -52.51 59.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -46.97 -41.39 16.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' O ' HG23 ' A' ' 58' ' ' VAL . 14.7 mttm -72.49 -60.33 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.466 ' O ' HD13 ' A' ' 18' ' ' LEU . 36.3 mt-30 -47.96 -21.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.556 HD21 ' HG3' ' A' ' 19' ' ' MET . 3.2 tm? -90.06 -57.3 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.66 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 54' ' ' LYS . 34.7 t -51.12 -52.82 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.7 -49.34 28.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.59 -45.28 91.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.73 -33.05 1.08 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.925 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.545 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.83 0.347 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.497 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 24.2 mmtt -64.53 -60.04 9.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HA ' HD12 ' A' ' 15' ' ' ILE . 53.8 Cg_endo -69.73 1.62 4.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.545 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 15.9 tt0 -104.63 -35.53 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -71.25 -28.73 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 12' ' ' PRO . 75.3 mt -54.38 -61.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -43.79 -40.45 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.41 69.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.1 mt -58.44 -49.45 77.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.8 mtm -46.3 -51.8 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -54.19 -39.09 66.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.75 -53.44 40.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.3 t -52.26 -42.14 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.8 m -71.13 -58.85 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 11.3 ttmm -53.19 -60.24 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' HG2' HD12 ' A' ' 52' ' ' LEU . 38.1 tp60 -43.13 -50.83 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.01 -41.31 52.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -76.57 -12.98 60.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 95.8 mt -91.75 -35.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.56 -26.12 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' CG ' ' N ' ' A' ' 31' ' ' GLU . 8.8 ptm180 -72.23 -51.3 21.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 10.5 pt-20 -59.39 -38.63 81.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD13 ' HA ' ' A' ' 42' ' ' VAL . 14.5 mt -51.94 -60.27 3.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -56.01 -36.63 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -26.91 63.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 37' ' ' ALA . 35.9 mt-30 -95.43 25.68 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' GLN . 9.8 pttp 34.56 34.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . -57.28 155.07 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -50.77 123.21 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -28.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.25 -39.03 60.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.6 -40.14 84.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.637 ' HA ' HD13 ' A' ' 32' ' ' LEU . 45.0 t -68.04 -51.6 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.93 -52.62 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.6 -50.17 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.2 -46.17 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -51.3 -58.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.57 -52.06 11.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HD3' HD11 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -59.03 -60.17 4.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' A' ' 52' ' ' LEU . 20.7 tp -42.56 -48.98 5.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -54.29 -39.31 66.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.14 -19.51 56.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 49' ' ' LEU . 64.2 mt -80.05 -15.15 57.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -84.0 -27.82 28.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 58' ' ' VAL . 3.2 ptmm? -88.84 -35.72 16.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -65.51 -33.97 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -63.78 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.98 -47.47 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 54' ' ' LYS . 73.3 t -61.42 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.14 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.074 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -75.63 -30.57 59.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.62 27.58 26.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.0 pttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.905 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 6.7 mptt -71.09 -59.93 3.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.545 0.688 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.79 0.19 6.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -106.38 -53.22 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 10.5 pt20 -52.02 -33.32 38.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 12' ' ' PRO . 57.5 mt -35.4 -44.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -67.07 -49.24 65.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.57 -34.9 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.42 HD23 ' OE2' ' A' ' 21' ' ' GLU . 17.7 mt -72.71 -63.04 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.664 ' HG3' HD21 ' A' ' 56' ' ' LEU . 36.9 mtm -41.99 -25.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.9 t70 -74.41 -56.58 4.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' OE2' HD23 ' A' ' 18' ' ' LEU . 7.9 pt-20 -63.49 -38.75 92.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.635 HG22 HD22 ' A' ' 52' ' ' LEU . 78.4 t -57.61 -48.71 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -49.27 -56.21 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.638 ' HG2' HD11 ' A' ' 28' ' ' ILE . 64.9 tttt -56.1 -38.16 70.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -49.58 -69.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.86 -34.11 10.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -66.99 -35.59 80.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.638 HD11 ' HG2' ' A' ' 24' ' ' LYS . 23.5 mt -70.62 -40.25 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.26 -34.78 68.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 ttm-85 -68.4 -53.62 22.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.14 -40.16 92.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 11.4 mt -55.3 -55.25 33.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -63.17 -40.55 97.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.88 -23.31 66.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -99.98 23.59 9.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.42 37.55 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.58 158.59 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 41' ' ' GLU . 6.3 t0 -57.21 118.88 5.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -38.46 -50.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -66.06 -40.83 91.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 4.9 tp10 -61.41 -28.83 69.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -75.3 -37.91 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.83 -51.02 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.85 -43.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 32' ' ' LEU . 45.4 mm-40 -75.69 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.1 t -46.96 -25.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.79 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -82.27 -23.0 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -72.47 -36.75 68.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.91 -42.07 88.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.51 -46.42 54.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.635 HD22 HG22 ' A' ' 22' ' ' VAL . 14.9 mt -48.48 -53.47 17.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -40.78 -45.34 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -69.58 -65.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -41.84 -27.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.664 HD21 ' HG3' ' A' ' 19' ' ' MET . 2.4 tm? -83.71 -65.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.91 -54.17 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.4 t -52.56 -46.5 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.83 -41.1 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.0 -45.32 92.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.77 -36.0 0.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.877 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -64.28 -59.97 9.72 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.78 -6.39 18.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.636 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 83.9 mm-40 -96.92 -57.67 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 10.1 pt20 -45.26 -29.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.75 HG22 ' SD ' ' A' ' 19' ' ' MET . 73.5 mt -42.19 -58.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -50.86 -52.65 39.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.25 -22.32 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.828 ' O ' HG23 ' A' ' 22' ' ' VAL . 25.5 mt -88.07 -54.73 4.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.75 ' SD ' HG22 ' A' ' 15' ' ' ILE . 30.0 mtp -47.63 -42.42 24.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -58.58 -62.87 1.53 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 8.6 pt-20 -52.88 -45.19 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 18' ' ' LEU . 48.0 t -53.37 -40.13 38.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.5 m -68.14 -61.16 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -49.64 -52.56 29.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.54 ' HG2' HD12 ' A' ' 52' ' ' LEU . 31.7 tp60 -45.01 -58.48 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.97 -52.85 9.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -52.99 -49.47 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -54.43 -39.73 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -68.55 -42.06 83.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.58 -50.32 74.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.34 -41.11 96.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -53.1 -40.39 64.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -72.63 -40.01 66.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.34 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.6 pt20 -96.04 23.44 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER 33.99 41.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.31 161.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.72 119.21 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -39.51 -68.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.5 OUTLIER -40.1 -52.88 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -54.19 -53.65 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.406 HG12 HG23 ' A' ' 46' ' ' VAL . 85.8 t -52.89 -49.85 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.05 -42.91 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.91 -49.83 15.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HB3' ' NE2' ' A' ' 25' ' ' GLN . 5.5 mm-40 -74.61 -45.06 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.406 HG23 HG12 ' A' ' 42' ' ' VAL . 83.8 t -45.38 -66.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -48.54 -45.51 37.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -56.0 -52.03 65.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.38 -46.39 80.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 47' ' ' ALA . 22.9 mt -51.4 -24.24 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -88.44 -43.1 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.54 HD12 ' HG2' ' A' ' 25' ' ' GLN . 18.2 mt -52.2 -20.61 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -74.53 -31.62 62.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 58' ' ' VAL . 2.9 ptmt -81.76 -36.66 28.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 10.5 mt-30 -69.41 -41.96 75.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.483 HD21 ' HG3' ' A' ' 19' ' ' MET . 2.0 tm? -65.16 -65.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -42.32 -59.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 54' ' ' LYS . 95.7 t -47.61 -56.05 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.76 -41.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.47 -41.98 31.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.05 -3.33 3.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.532 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 1.4 mptm? . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.926 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.833 0.349 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 2.4 mmmp? -67.78 -60.01 5.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.7 -1.27 8.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.926 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 60.9 mt-30 -104.81 -43.05 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -59.19 -26.72 65.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 12' ' ' PRO . 70.3 mt -45.31 -58.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -49.94 -56.69 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.17 -37.89 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 55' ' ' GLN . 31.0 mt -70.51 -54.72 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.9 mtm -50.11 -26.59 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -73.69 -57.16 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.482 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 17.9 pt-20 -61.48 -40.44 94.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.62 -52.5 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -51.91 -56.19 15.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.48 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 25.2 ttpt -52.1 -58.3 6.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.748 ' O ' HG23 ' A' ' 29' ' ' VAL . 32.2 tp60 -56.5 -35.07 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.51 -54.72 18.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.473 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 24' ' ' LYS . 1.3 p30 -61.33 -35.62 77.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.42 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 70.5 mt -62.81 -40.42 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 25' ' ' GLN . 91.7 t -67.01 -35.42 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 ttp85 -67.51 -49.03 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 14.2 pt-20 -62.68 -42.22 99.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB3' HG22 ' A' ' 42' ' ' VAL . 15.9 mt -50.76 -52.14 43.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.45 -46.91 83.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.27 70.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 31.8 mt-30 -89.28 26.58 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' GLN . 8.9 ptmm? 34.31 42.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.65 155.19 38.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -53.27 132.05 38.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -46.63 -52.34 13.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -56.63 -46.45 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -59.09 -46.27 88.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.566 HG22 ' HB3' ' A' ' 32' ' ' LEU . 84.5 t -66.41 -39.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -56.3 -59.26 5.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -37.18 -38.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -75.57 -45.76 35.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.8 -40.61 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.31 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -74.1 -29.43 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.711 HD22 HG21 ' A' ' 29' ' ' VAL . 9.6 tp -67.24 -50.2 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.7 mt -46.93 -41.79 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -68.84 -41.14 78.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 49' ' ' LEU . 22.1 mt -56.03 -34.34 65.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -55.04 -42.53 72.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' LEU . 75.9 mttt -68.38 -60.89 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.525 ' O ' HD13 ' A' ' 18' ' ' LEU . 39.8 mt-30 -43.34 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -87.15 -67.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.17 -53.2 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.89 -43.94 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.22 -60.5 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.78 -37.23 78.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.424 ' C ' ' HE2' ' A' ' 62' ' ' LYS . . . 112.71 25.6 4.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.424 ' HE2' ' C ' ' A' ' 61' ' ' GLY . 6.2 mmpt? . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.586 0.707 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.665 ' HB3' ' CG ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.824 0.345 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -71.33 -59.96 2.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.908 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.679 ' HA ' HD12 ' A' ' 15' ' ' ILE . 52.9 Cg_endo -69.79 2.09 3.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.665 ' CG ' ' HB3' ' A' ' 10' ' ' ALA . 96.2 mm-40 -101.67 -53.26 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 9.5 pt20 -53.01 -40.13 63.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 12' ' ' PRO . 79.4 mt -40.47 -62.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -45.18 -44.02 10.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.38 81.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.042 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.584 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 16.4 mt -60.16 -64.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.5 mtm -41.75 -36.44 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.09 -59.57 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 9.1 pt-20 -59.65 -39.74 85.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.874 HG21 HD23 ' A' ' 56' ' ' LEU . 96.6 t -56.29 -39.89 62.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.8 m -71.7 -59.06 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.476 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 13.0 ttpt -46.95 -42.66 18.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.53 ' HG2' HD12 ' A' ' 52' ' ' LEU . 51.9 tp60 -46.98 -58.29 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.06 -40.38 28.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 24' ' ' LYS . 25.5 m-20 -62.22 -43.62 98.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.498 HG22 ' CD1' ' A' ' 32' ' ' LEU . 54.1 mt -63.92 -44.47 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.83 -37.6 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -70.19 -52.09 26.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -38.74 92.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CD1' HG22 ' A' ' 28' ' ' ILE . 13.8 mt -53.35 -47.47 69.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -62.39 -44.74 95.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.32 -36.94 71.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -86.81 26.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 39.11 40.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.63 158.5 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.42 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 36.0 t70 -62.63 131.93 50.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -46.03 -50.89 14.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -56.72 -53.97 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 5.9 mm-40 -51.79 -49.75 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.82 -48.06 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.25 -41.87 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.79 -61.19 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.477 ' OE2' HG21 ' A' ' 28' ' ' ILE . 4.9 mm-40 -55.65 -36.14 66.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.6 t -57.39 -63.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.19 -52.41 44.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -54.31 -52.69 60.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.776 ' HA ' HD12 ' A' ' 52' ' ' LEU . 28.4 tp -52.91 -48.79 66.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.9 mt -45.9 -39.51 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' LYS . 84.2 m-20 -73.61 -50.17 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 49' ' ' LEU . 38.0 mt -42.25 -36.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -60.34 -39.9 88.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -84.34 -34.93 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 21.7 mt-30 -65.67 -37.54 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 22' ' ' VAL . 1.4 tm? -63.01 -51.38 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.95 83.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 54' ' ' LYS . 96.4 t -55.35 -54.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -45.05 -47.06 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.83 -43.64 75.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.91 -39.91 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.841 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.728 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.863 0.364 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 31.9 mmtt -63.72 -59.97 10.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.55 0.691 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.64 ' HA ' HD12 ' A' ' 15' ' ' ILE . 53.4 Cg_endo -69.78 -0.21 6.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.728 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 33.9 tp60 -103.1 -47.68 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 12.4 pt20 -57.97 -31.88 67.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.72 ' HA ' HD12 ' A' ' 18' ' ' LEU . 87.0 mt -44.13 -61.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 5.9 tp60 -46.5 -48.42 19.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.16 83.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.962 HD13 ' HA ' ' A' ' 56' ' ' LEU . 28.0 mt -50.17 -55.32 15.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.418 ' HG2' HD11 ' A' ' 56' ' ' LEU . 59.3 mtm -52.83 -41.12 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -62.45 -50.29 72.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -48.46 -56.12 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -44.22 -42.69 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 m -63.24 -67.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 4.0 tppt? -54.93 -63.83 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -48.36 -35.29 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.7 -49.83 57.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 28' ' ' ILE . 3.4 p30 -69.7 -33.74 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.5 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 12.0 mt -60.27 -42.52 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.69 -44.18 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -57.71 -50.5 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 17.0 pt-20 -61.91 -42.19 98.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB3' HG22 ' A' ' 42' ' ' VAL . 13.2 mt -47.62 -52.23 18.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -63.96 -38.56 91.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.29 91.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.132 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -85.77 27.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? 44.22 48.06 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.48 166.72 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.41 130.69 41.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -48.97 -46.46 43.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -47.96 83.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.6 -50.57 73.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 46' ' ' VAL . 77.8 t -57.23 -45.25 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.74 -49.61 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.19 -54.49 6.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.24 -45.8 83.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 42' ' ' VAL . 81.9 t -47.28 -59.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.4 -56.9 10.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -49.58 -54.49 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 52' ' ' LEU . 41.9 tp -47.43 -49.53 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -53.35 -42.78 67.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -62.83 -37.25 86.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 49' ' ' LEU . 74.9 mt -63.23 -29.7 70.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -67.31 -36.63 81.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.1 ptmm? -87.56 -33.95 18.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.433 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 22.5 mt-30 -63.67 -41.0 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.962 ' HA ' HD13 ' A' ' 18' ' ' LEU . 3.6 tt -63.6 -64.96 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.25 -53.84 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 54' ' ' LYS . 94.1 t -48.85 -43.31 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.61 -57.49 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -53.03 -39.17 62.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.31 24.33 2.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.852 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.845 0.355 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.534 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -65.96 -58.37 11.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.589 0.709 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.76 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.852 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 4.9 mm-40 -91.67 -46.63 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -57.83 -25.99 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 12' ' ' PRO . 89.4 mt -45.15 -55.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -48.49 -47.31 38.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.47 -33.02 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 20' ' ' ASP . 36.9 mt -80.36 -62.91 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.1 mtm -39.8 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.5 t0 -77.5 -65.53 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.22 -47.36 75.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.524 HG22 ' HB3' ' A' ' 52' ' ' LEU . 70.2 t -49.6 -45.93 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.6 m -58.21 -61.51 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.583 ' HD3' HD11 ' A' ' 28' ' ' ILE . 15.4 ttmm -48.08 -48.36 33.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' HG2' HD12 ' A' ' 52' ' ' LEU . 53.3 tp60 -42.31 -57.14 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.32 -48.19 27.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.76 -45.59 91.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.583 HD11 ' HD3' ' A' ' 24' ' ' LYS . 77.1 mt -53.26 -41.63 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.69 -45.65 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -60.47 -47.62 85.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.79 -45.55 78.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.24 -55.33 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -58.68 -41.67 86.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.14 -22.89 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' LYS . 57.6 mt-30 -94.47 26.96 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' GLN . 17.0 pttm 37.83 40.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 160.8 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.53 140.28 54.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -52.09 -47.75 65.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -63.58 -44.15 94.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -46.94 72.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.8 t -67.62 -50.92 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.94 -44.69 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.33 -50.08 68.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -63.58 -47.74 80.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.1 t -49.9 -57.28 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.84 -43.2 65.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -62.21 -52.21 64.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.9 tp -41.95 -38.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.2 mt -59.96 -56.54 20.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -53.83 -29.73 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HB3' HG22 ' A' ' 22' ' ' VAL . 36.6 mt -78.03 -30.26 49.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -76.26 -27.72 56.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 58' ' ' VAL . 10.7 pttp -84.55 -34.45 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -73.16 -47.13 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.674 ' O ' HD13 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -56.29 -48.5 76.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.25 37.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 54' ' ' LYS . 98.9 t -57.24 -47.9 83.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.85 -49.28 8.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.3 -43.87 72.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.02 -40.12 0.86 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.83 0.348 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -67.85 -59.97 5.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.921 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.71 2.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.405 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' CD ' ' C ' ' A' ' 13' ' ' GLN . 1.5 tm0? -105.05 -55.2 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 15.5 pt20 -50.06 -33.5 18.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 97.0 mt -47.26 -57.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -47.03 -56.3 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.37 -45.27 65.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.11 -58.91 6.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.2 mtm -44.63 -24.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -82.24 -65.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -55.92 -49.9 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.551 HG21 HD23 ' A' ' 56' ' ' LEU . 95.6 t -51.5 -47.81 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -64.96 -57.19 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -46.29 -47.79 18.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.531 ' HG2' HD12 ' A' ' 52' ' ' LEU . 38.3 tp60 -54.4 -50.23 68.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.38 -35.39 60.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' HA ' ' CD ' ' A' ' 30' ' ' ARG . 65.9 m-20 -73.42 -18.04 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.9 mt -85.09 -31.77 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.94 -37.99 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.475 ' CD ' ' HA ' ' A' ' 27' ' ' ASN . 15.7 ptm180 -56.57 -49.53 74.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 8.4 pt-20 -67.69 -37.77 82.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 15.8 mt -53.69 -47.53 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -73.0 -27.76 61.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.55 -6.07 54.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -116.42 26.72 9.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 mttm 40.67 34.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.75 171.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -72.14 131.5 42.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -45.5 -42.08 10.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -66.95 -47.4 71.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.74 -45.12 82.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.27 -60.61 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.45 -46.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.38 -56.83 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.4 -41.9 93.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' ALA . 95.9 t -52.7 -64.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -34.2 -43.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -73.15 -49.94 25.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.9 -48.86 60.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -55.06 -34.96 64.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -78.63 -23.81 45.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD12 ' HG2' ' A' ' 25' ' ' GLN . 36.9 mt -77.11 -23.58 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -73.35 -32.58 64.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -83.16 -34.69 25.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.454 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 34.6 mt-30 -66.6 -38.52 87.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.551 HD23 HG21 ' A' ' 22' ' ' VAL . 1.3 tm? -61.18 -57.09 13.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.25 -46.71 72.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 54' ' ' LYS . 70.1 t -53.47 -56.37 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.85 -53.02 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.68 -36.04 81.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.45 30.34 14.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 110.927 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.844 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.827 0.346 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 13.8 mmtp -69.56 -60.01 4.28 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.558 0.694 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.627 ' HA ' HD12 ' A' ' 15' ' ' ILE . 53.6 Cg_endo -69.8 -0.74 7.39 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.844 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 19.2 mm-40 -102.75 -47.59 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -56.85 -34.93 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 12' ' ' PRO . 44.8 mt -52.31 -59.36 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -47.85 -34.06 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.2 -52.79 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 55' ' ' GLN . 12.1 mt -54.47 -49.01 71.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.465 ' CG ' HD21 ' A' ' 56' ' ' LEU . 9.1 mtm -42.74 -49.54 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -65.08 -38.14 89.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.74 -47.21 83.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.29 -47.87 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.2 m -63.38 -53.74 47.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -57.98 -59.69 4.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 28' ' ' ILE . 23.8 tp60 -44.32 -46.1 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.74 -37.0 93.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -67.25 -41.04 86.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 25' ' ' GLN . 58.7 mt -56.91 -37.91 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.19 -40.69 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.74 -56.93 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 1.9 pp20? -58.62 -35.53 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HB3' HG22 ' A' ' 42' ' ' VAL . 12.9 mt -57.83 -47.64 82.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -63.93 -43.22 96.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.55 71.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 31' ' ' GLU . 39.8 mt-30 -87.2 26.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt 40.8 43.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.19 155.74 36.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.05 132.23 53.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -47.89 -48.75 31.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -56.29 -42.95 78.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -61.07 -45.42 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.588 HG22 ' HB3' ' A' ' 32' ' ' LEU . 57.8 t -66.62 -52.8 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.34 -57.51 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.31 -54.32 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -55.54 -48.96 73.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.2 t -50.14 -58.03 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.14 -53.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -55.75 -54.55 43.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.4 tp -47.36 -50.42 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.4 -46.6 13.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.76 -54.47 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.5 mt -42.55 -40.28 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -48.81 -42.24 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER -77.79 -38.06 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.51 ' O ' HD13 ' A' ' 18' ' ' LEU . 34.5 mt-30 -58.5 -26.94 63.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD21 ' CG ' ' A' ' 19' ' ' MET . 2.6 tm? -79.31 -62.66 1.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.91 -50.61 68.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.572 ' CG1' ' N ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -51.94 -47.24 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.572 ' N ' ' CG1' ' A' ' 58' ' ' VAL . . . -47.88 -45.81 30.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -72.17 -37.86 69.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.63 -18.72 4.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.9 mptt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.553 0.692 . . . . 0.0 110.89 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.659 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.863 0.363 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 3.0 tptp -60.6 -59.54 13.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.553 0.692 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.79 -2.74 10.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.659 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 1.3 tm0? -97.01 -62.77 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -38.45 -26.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' GLN . 70.6 mt -42.51 -58.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -45.69 -38.76 7.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.2 -30.37 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.93 -56.1 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.509 ' HG2' HD21 ' A' ' 56' ' ' LEU . 40.2 mtm -50.55 -34.06 24.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.82 -56.19 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 11.3 pt-20 -62.79 -33.68 75.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 52' ' ' LEU . 31.3 t -65.13 -55.71 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 m -48.55 -60.98 2.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG2' HD11 ' A' ' 28' ' ' ILE . 20.4 tttp -49.26 -54.4 17.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HA ' HD12 ' A' ' 28' ' ' ILE . 58.4 tp60 -42.88 -43.94 4.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.15 -40.41 98.5 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -71.29 -45.15 63.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 25' ' ' GLN . 72.3 mt -48.47 -45.61 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.2 -40.5 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -61.0 -45.12 96.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 8.6 pt-20 -72.1 -36.66 69.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD11 ' HG3' ' A' ' 45' ' ' GLU . 16.0 mt -54.83 -49.53 70.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -67.07 -40.63 87.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.22 -25.61 68.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -94.35 26.42 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.1 mttm 42.04 35.65 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.91 152.25 28.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.8 t0 -60.57 139.04 57.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -46.66 -46.4 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -58.13 -54.07 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -54.79 -45.79 74.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 38' ' ' ASP . 52.3 t -63.76 -60.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -41.7 -49.58 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -37.34 -59.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HG3' HD11 ' A' ' 32' ' ' LEU . 5.1 mm-40 -66.05 -47.36 74.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.7 t -44.25 -51.1 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.82 -50.82 55.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' ASP . 22.4 ttmt -56.75 -61.47 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 tp -40.71 -46.93 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -51.57 -39.35 57.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' LYS . 84.4 m-20 -74.99 -55.51 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.487 ' CD2' ' OE2' ' A' ' 21' ' ' GLU . 10.2 mt -45.84 -37.35 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -53.81 -42.16 68.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -77.21 -33.15 56.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.436 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 14.0 mt-30 -64.88 -44.7 88.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -62.56 -60.81 3.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 62' ' ' LYS . . . -42.17 -62.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.9 t -51.87 -51.86 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.88 -45.55 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.15 -48.58 28.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.28 -22.55 2.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.45 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.58 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.947 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.874 0.369 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -70.16 -59.99 3.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.8 -12.85 33.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.738 2.292 . . . . 0.0 112.34 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.947 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 33.1 mt-30 -91.55 -55.21 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 15' ' ' ILE . 19.2 pt20 -51.46 -48.4 62.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.565 HG22 ' HE2' ' A' ' 19' ' ' MET . 60.5 mt -40.81 -60.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.552 ' HA ' ' HE2' ' A' ' 19' ' ' MET . 54.4 tp60 -47.8 -40.04 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -46.45 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.588 ' CD1' ' CB ' ' A' ' 59' ' ' ALA . 18.9 mt -58.15 -56.65 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE2' HG22 ' A' ' 15' ' ' ILE . 36.1 mtm -39.91 -47.57 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -62.38 -46.19 89.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -50.4 -51.37 46.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.87 -53.07 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.9 m -49.57 -49.14 47.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -66.76 -51.71 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 45' ' ' GLU . 14.6 tp60 -50.5 -59.1 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.59 -40.7 8.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -71.27 -40.21 71.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.12 -39.09 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.407 HG21 HD22 ' A' ' 49' ' ' LEU . 97.7 t -68.86 -38.55 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -62.14 -54.36 42.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.78 -42.5 97.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.552 ' HB3' HG22 ' A' ' 42' ' ' VAL . 12.5 mt -45.31 -49.59 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -65.3 -43.56 90.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -41.34 85.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -85.71 26.62 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.41 42.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.01 166.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.471 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 32.8 t0 -74.9 124.1 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -38.91 -53.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -58.68 -48.54 80.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 6.6 mm-40 -52.89 -49.44 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 32' ' ' LEU . 74.0 t -63.92 -46.02 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.91 -41.11 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -56.08 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB3' ' NE2' ' A' ' 25' ' ' GLN . 9.6 mm-40 -58.91 -34.65 71.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.15 -47.22 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.72 20.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -62.05 -35.27 78.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 22.7 tp -64.12 -70.96 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' LEU . 94.9 mt -35.1 -34.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -81.95 -44.7 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.7 mt -52.98 -34.63 56.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -56.93 -42.42 79.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.5 ptmt -72.91 -33.05 65.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.472 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 31.3 mt-30 -68.7 -49.81 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 tm? -50.89 -52.14 44.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.32 -53.22 60.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 54' ' ' LYS . 99.9 t -51.95 -55.57 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.588 ' CB ' ' CD1' ' A' ' 18' ' ' LEU . . . -42.35 -48.02 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -65.49 -43.4 90.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.93 -37.65 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.924 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.808 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.799 0.333 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 13.4 mmtm -62.59 -59.94 11.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.78 -1.69 8.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.26 . . . . 0.0 112.356 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.808 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 13.1 tt0 -100.79 -56.03 2.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -48.89 -44.02 39.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' SD ' ' A' ' 19' ' ' MET . 96.1 mt -39.65 -57.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -51.92 -42.59 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.14 -54.8 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLU . 20.1 mt -51.95 -55.85 17.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.52 ' HG3' HD21 ' A' ' 56' ' ' LEU . 19.7 mtp -36.26 -57.95 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.45 -42.84 54.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' LEU . 34.3 mm-40 -59.52 -52.85 63.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.5 -42.04 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.5 m -66.65 -57.85 6.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' GLN . 28.0 ttpt -57.38 -58.46 8.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.633 ' HG2' HD12 ' A' ' 52' ' ' LEU . 42.9 tp60 -37.97 -57.73 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.28 -40.4 29.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -67.01 -44.89 79.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 25' ' ' GLN . 74.8 mt -51.51 -42.87 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -62.84 -41.87 94.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -61.95 -53.23 58.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.83 -39.96 93.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.772 HD11 ' HG3' ' A' ' 45' ' ' GLU . 12.5 mt -48.62 -58.45 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -53.13 -45.23 68.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.82 72.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -86.83 26.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt 41.49 42.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.12 143.67 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.11 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.58 135.35 56.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -44.6 -36.65 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.459 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 46.7 t30 -66.36 -48.51 69.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -54.57 -41.46 69.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.525 ' HA ' HD13 ' A' ' 32' ' ' LEU . 57.6 t -69.8 -47.05 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.18 -46.15 11.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.54 -60.42 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.772 ' HG3' HD11 ' A' ' 32' ' ' LEU . 41.0 mm-40 -53.7 -43.58 69.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 42' ' ' VAL . 85.9 t -60.38 -49.02 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.84 -55.1 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 15.5 ptpt -62.29 -36.34 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 29.1 tp -58.57 -38.6 78.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.46 -45.5 91.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -70.04 -32.06 70.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.633 HD12 ' HG2' ' A' ' 25' ' ' GLN . 88.3 mt -66.87 -31.47 72.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -67.99 -36.87 80.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.694 ' O ' HG23 ' A' ' 58' ' ' VAL . 14.6 pttt -85.85 -35.69 20.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.43 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 6.5 mt-30 -60.06 -40.97 91.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.52 HD21 ' HG3' ' A' ' 19' ' ' MET . 2.4 tm? -59.14 -56.22 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.36 -55.6 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 54' ' ' LYS . 93.2 t -42.71 -60.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.22 -54.46 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -62.0 -36.17 80.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.55 31.08 6.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.4 mttt . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 0.0 110.933 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -66.12 -59.96 7.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.948 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.866 ' HA ' HD12 ' A' ' 15' ' ' ILE . 54.3 Cg_endo -69.72 -0.88 7.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.549 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 25.7 tt0 -99.69 -45.81 5.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -65.03 -35.96 82.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 12' ' ' PRO . 47.7 mt -47.26 -62.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -40.13 -41.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.61 -41.03 80.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 15' ' ' ILE . 44.3 mt -55.77 -45.53 78.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.4 mtm -55.52 -37.79 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -67.19 -48.61 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -47.26 -58.01 4.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.429 HG21 HD12 ' A' ' 56' ' ' LEU . 62.0 t -40.13 -45.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.2 m -58.35 -68.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -47.38 -51.77 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.911 ' OE1' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -51.18 -53.62 33.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.43 -45.93 29.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.97 -47.84 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 25' ' ' GLN . 60.8 mt -48.56 -54.85 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.507 ' HA ' HD12 ' A' ' 32' ' ' LEU . 99.4 t -52.56 -48.8 46.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -51.85 -40.53 60.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.15 -45.44 84.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.816 HD13 ' HA ' ' A' ' 42' ' ' VAL . 22.3 mt -54.0 -57.93 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -66.62 -17.76 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.5 -25.93 24.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -111.46 15.46 21.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm 47.54 45.32 17.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -55.4 161.89 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -55.45 136.94 49.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -39.11 -54.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.61 -39.63 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -60.27 -41.18 92.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.816 ' HA ' HD13 ' A' ' 32' ' ' LEU . 42.5 t -67.92 -52.52 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.24 -51.6 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.33 -40.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.773 ' HG3' HD11 ' A' ' 32' ' ' LEU . 41.0 mm-40 -82.08 -50.78 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.1 t -46.15 -54.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.86 -60.15 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -52.67 25.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.911 HD13 ' OE1' ' A' ' 25' ' ' GLN . 27.1 tp -45.07 -52.61 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -57.87 -31.0 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.57 -23.32 50.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.61 HD12 ' HG3' ' A' ' 25' ' ' GLN . 20.4 mt -74.79 -25.33 58.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -30.05 61.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 58' ' ' VAL . 9.8 ptmt -87.99 -36.12 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.79 -32.71 73.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.676 ' HA ' HD13 ' A' ' 18' ' ' LEU . 1.9 tt -72.78 -68.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.04 -60.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 54' ' ' LYS . 71.0 t -41.98 -44.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.472 ' HB1' HG12 ' A' ' 15' ' ' ILE . . . -65.94 -58.6 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -50.22 -33.45 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.65 14.36 23.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.897 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 6.9 mmtp -71.26 -59.92 3.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.623 ' HA ' HD12 ' A' ' 15' ' ' ILE . 54.3 Cg_endo -69.72 2.85 3.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.897 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -99.08 -58.09 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 27.3 pt20 -48.71 -37.02 17.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 12' ' ' PRO . 88.0 mt -38.56 -64.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -42.77 -48.45 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.8 -56.51 21.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.39 -50.99 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.3 mtm -41.37 -52.21 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -56.29 -37.96 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.452 ' CB ' HD22 ' A' ' 52' ' ' LEU . 49.8 mm-40 -59.43 -47.66 84.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 52' ' ' LEU . 90.3 t -56.98 -48.96 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.2 m -65.84 -57.5 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -52.08 -49.9 62.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.584 ' HB3' HD13 ' A' ' 49' ' ' LEU . 41.7 tp60 -59.34 -52.37 65.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.21 -43.42 7.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -68.23 -47.24 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.9 mt -58.58 -40.1 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.996 HG21 HD22 ' A' ' 49' ' ' LEU . 86.4 t -68.93 -40.48 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -67.38 -49.96 61.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -64.88 -39.72 93.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD11 ' HG3' ' A' ' 45' ' ' GLU . 12.0 mt -50.74 -48.4 59.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -68.66 -43.52 76.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.27 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' A' ' 36' ' ' LYS . 32.8 mt-30 -89.32 27.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER 30.62 47.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.67 171.85 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -55.74 127.82 31.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -45.6 38.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -58.67 -51.08 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -54.7 -45.99 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 46' ' ' VAL . 99.4 t -58.55 -51.82 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.54 -52.78 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.51 -44.62 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' HG3' HD11 ' A' ' 32' ' ' LEU . 5.5 mm-40 -69.41 -41.82 75.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 42' ' ' VAL . 87.6 t -46.03 -56.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.5 -60.41 2.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -50.71 -64.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.996 HD22 HG21 ' A' ' 29' ' ' VAL . 32.6 tp -41.1 -60.47 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -39.56 -38.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.93 -34.73 51.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 49' ' ' LEU . 65.1 mt -62.9 -8.29 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -31.6 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.864 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.7 ptpt -90.81 -38.26 13.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -65.75 -38.32 88.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.3 -67.0 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.14 -51.36 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 54' ' ' LYS . 76.7 t -45.96 -57.46 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.66 -46.78 67.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -58.17 -39.54 79.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.46 29.85 4.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.905 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.757 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.888 0.375 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 7.2 tppt? -62.82 -59.38 12.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.752 ' HA ' HD12 ' A' ' 15' ' ' ILE . 54.1 Cg_endo -69.71 3.39 2.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.757 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 23.0 tt0 -99.61 -54.8 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -50.63 -36.29 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 12' ' ' PRO . 64.8 mt -43.12 -48.56 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -55.2 -48.94 73.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.18 82.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 22' ' ' VAL . 68.7 mt -55.64 -49.01 74.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.4 mtm -54.71 -32.31 59.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -71.67 -59.13 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.87 -47.79 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 18' ' ' LEU . 87.8 t -54.71 -55.09 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.1 m -53.71 -59.73 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -42.79 -45.53 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HA ' HD12 ' A' ' 28' ' ' ILE . 53.4 tp60 -53.0 -61.44 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.99 -45.1 2.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -63.21 -50.72 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 25' ' ' GLN . 78.6 mt -46.63 -51.02 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.03 -45.18 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -59.45 -37.24 77.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.21 -44.05 93.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' ' 42' ' ' VAL . 18.1 mt -56.74 -57.64 11.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -56.05 -35.13 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.27 -36.5 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' LYS . 45.6 mt-30 -97.28 24.26 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' GLN . 61.5 mttm 38.4 44.62 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . . . -56.18 172.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.92 131.13 42.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -45.91 -54.03 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -49.45 -44.59 45.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.57 -55.03 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.747 ' HA ' HD13 ' A' ' 32' ' ' LEU . 37.4 t -53.49 -47.15 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.36 -49.67 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.65 -46.72 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -67.35 -45.97 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 42' ' ' VAL . 96.9 t -48.48 -65.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -47.09 -51.22 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.608 ' HE3' HD11 ' A' ' 52' ' ' LEU . 49.0 tttp -53.46 -54.56 35.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.9 tp -40.21 -48.42 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 47' ' ' ALA . 35.0 mt -47.83 -59.88 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.415 ' OD1' ' NE2' ' A' ' 55' ' ' GLN . 4.4 t0 -53.67 -32.4 51.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.608 HD11 ' HE3' ' A' ' 48' ' ' LYS . 31.5 mt -73.93 -35.61 64.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -75.57 -30.71 59.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 58' ' ' VAL . 9.5 ptmt -83.63 -33.63 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.415 ' NE2' ' OD1' ' A' ' 51' ' ' ASP . 8.4 mt-30 -68.57 -43.93 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 56' ' ' LEU . 1.5 tm? -52.11 -65.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -41.47 -54.26 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 54' ' ' LYS . 87.8 t -50.0 -53.27 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.54 -49.3 56.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -64.41 -41.49 96.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.7 -36.34 0.92 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.548 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 34.0 mmtt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.843 0.354 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 9.9 tptp -61.11 -59.87 12.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.76 -9.85 27.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.276 . . . . 0.0 112.309 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 42.6 tp60 -90.74 -55.22 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -45.69 -24.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.751 ' HA ' HD12 ' A' ' 18' ' ' LEU . 90.1 mt -54.29 -56.25 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.653 ' HA ' ' HE3' ' A' ' 19' ' ' MET . 50.7 tp60 -52.91 -46.5 68.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.2 -48.47 78.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 15' ' ' ILE . 12.9 mt -51.98 -56.3 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.653 ' HE3' ' HA ' ' A' ' 16' ' ' GLN . 29.8 mtm -38.88 -42.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.79 -42.39 95.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' LEU . 6.1 mm-40 -61.74 -48.9 78.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -54.64 -41.98 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.8 m -66.08 -58.79 4.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' GLN . 22.1 tttm -57.28 -59.53 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.686 ' HG3' HD13 ' A' ' 49' ' ' LEU . 28.0 tp60 -36.23 -61.34 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.16 -57.15 5.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -47.56 -52.89 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -50.43 -43.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.652 HG21 HD22 ' A' ' 49' ' ' LEU . 93.5 t -64.54 -44.82 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -50.16 74.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 9.0 pt-20 -65.57 -39.1 91.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.701 HD11 ' HG3' ' A' ' 45' ' ' GLU . 13.9 mt -49.27 -51.62 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -61.83 -43.94 97.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.11 73.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.101 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' LYS . 23.4 mt-30 -87.14 26.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' GLN . 27.2 mttm 35.85 41.87 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.45 156.16 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.0 t70 -60.63 131.15 49.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -49.32 -41.66 39.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.44 -49.99 74.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.87 -42.43 89.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 38' ' ' ASP . 58.9 t -61.79 -49.72 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.86 -52.74 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.49 -47.61 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.701 ' HG3' HD11 ' A' ' 32' ' ' LEU . 69.0 mm-40 -67.25 -46.26 74.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.4 t -56.45 -40.92 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.31 -49.04 70.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD2' ' NE2' ' A' ' 25' ' ' GLN . 7.3 ptpp? -72.0 -30.14 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.686 HD13 ' HG3' ' A' ' 25' ' ' GLN . 23.4 tp -66.8 -51.99 49.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.43 -42.9 44.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -57.46 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 43.8 mt -42.85 -34.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -60.42 -40.37 90.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.6 pttp -80.59 -36.47 32.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 16.4 mt-30 -60.53 -47.31 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 56' ' ' LEU . 1.4 tm? -56.85 -67.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.58 -62.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 54' ' ' LYS . 84.2 t -49.47 -52.61 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.15 -62.24 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -51.14 -40.19 57.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.09 27.18 5.46 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 0.0 110.864 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.791 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.822 0.344 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.503 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 14.2 mtmm -71.52 -59.97 2.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.532 0.682 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.75 2.86 3.15 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.791 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 14.2 tt0 -110.72 -46.06 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 5.9 pt20 -57.58 -44.28 85.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.459 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 70.2 mt -40.71 -59.28 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -46.84 -47.1 21.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.8 -59.31 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 mt -46.49 -51.09 16.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.7 mtm -41.22 -54.75 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -56.75 -43.9 81.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -56.78 -48.83 77.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.547 HG21 ' HG ' ' A' ' 56' ' ' LEU . 99.5 t -52.38 -45.25 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.9 m -67.44 -61.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -45.87 -48.87 15.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.593 ' OE1' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -44.37 -64.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.57 -37.65 3.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -72.82 -43.71 62.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.2 mt -56.76 -42.29 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' OE1' ' A' ' 25' ' ' GLN . 88.9 t -66.38 -41.68 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -60.28 -49.81 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 21.0 pt-20 -65.97 -44.51 84.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' A' ' 45' ' ' GLU . 11.8 mt -46.43 -46.11 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -68.57 -43.48 76.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.51 70.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -88.03 26.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt 40.37 41.81 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.4 150.39 49.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 42' ' ' VAL . 8.4 t70 -50.0 136.15 19.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -48.9 -58.83 4.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -52.76 -50.53 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -50.37 -53.06 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 38' ' ' ASP . 93.9 t -54.86 -47.89 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.7 71.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.91 -47.06 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' HG3' HD11 ' A' ' 32' ' ' LEU . 21.9 mm-40 -72.26 -43.41 64.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -43.24 -55.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.82 -56.31 23.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 49' ' ' LEU . 2.0 tmmm? -46.77 -45.97 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 25' ' ' GLN . 23.4 tp -49.86 -50.89 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -42.91 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -62.29 -49.03 77.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 mt -48.79 -50.28 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -46.13 -42.69 14.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' LEU . 37.2 mttp -68.29 -65.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -42.82 -23.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.547 ' HG ' HG21 ' A' ' 22' ' ' VAL . 1.7 tm? -84.55 -66.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -52.59 -58.19 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.6 t -44.12 -35.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.65 -43.6 46.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -84.42 26.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 40.18 46.69 3.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.502 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 24.7 mmmt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.84 0.353 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.634 ' CB ' ' CD ' ' A' ' 12' ' ' PRO . 2.0 mptm? -95.79 -70.6 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.75 -26.14 27.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.499 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -78.9 -51.61 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 5.4 pt20 -49.26 -27.14 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.664 HG22 ' SD ' ' A' ' 19' ' ' MET . 96.1 mt -46.94 -49.16 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -54.4 -34.06 60.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.55 -47.7 38.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 25.8 mt -59.58 -57.67 11.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.664 ' SD ' HG22 ' A' ' 15' ' ' ILE . 19.4 mtp -36.07 -57.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -49.27 -47.19 46.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -50.8 -51.28 52.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.57 -34.67 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.9 m -75.44 -61.61 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -50.63 -57.51 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.456 ' OE1' ' CE ' ' A' ' 48' ' ' LYS . 41.4 tp60 -39.97 -50.17 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.99 -49.33 55.81 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -56.62 -47.23 80.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.6 -60.7 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -44.48 -47.82 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CD ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -54.36 -47.32 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' OE1' ' CD ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -60.2 -39.45 86.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.858 ' HB3' HG22 ' A' ' 42' ' ' VAL . 24.9 mt -68.78 -47.88 65.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -65.67 -22.89 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.32 -16.61 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -110.13 15.56 22.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt 43.18 28.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.64 159.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 42' ' ' VAL . 5.9 t0 -54.35 136.83 43.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -55.33 -40.81 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -53.13 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.47 -53.2 60.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.858 HG22 ' HB3' ' A' ' 32' ' ' LEU . 61.4 t -56.6 -51.61 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' VAL . . . -37.48 -56.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.5 -48.47 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.36 -42.64 83.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.46 HG23 HG12 ' A' ' 42' ' ' VAL . 96.2 t -53.31 -55.97 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.72 -63.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.814 ' HE2' HD11 ' A' ' 52' ' ' LEU . 21.0 tttt -39.32 -41.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.04 -55.77 19.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.09 -20.92 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.92 -46.39 8.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.814 HD11 ' HE2' ' A' ' 48' ' ' LYS . 40.4 mt -48.0 -28.65 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -64.3 -36.57 84.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.1 pttp -81.24 -37.48 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.458 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 17.3 mt-30 -64.75 -47.62 77.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.803 HD13 ' OE1' ' A' ' 60' ' ' GLU . 2.4 tm? -55.09 -67.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 62' ' ' LYS . . . -39.21 -65.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 54' ' ' LYS . 89.7 t -39.89 -58.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -37.55 -48.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.803 ' OE1' HD13 ' A' ' 56' ' ' LEU . 7.5 mp0 -74.54 -41.05 61.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.23 14.12 9.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.573 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 3.7 pttm . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.822 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -45.9 -59.71 4.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.56 0.695 . . . . 0.0 110.873 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.822 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 5.2 tp-100 -105.24 -67.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' GLN . 14.4 pt20 -37.33 -29.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 13' ' ' GLN . 71.1 mt -52.52 -58.47 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -52.42 -42.15 63.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.3 70.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' CB ' HD23 ' A' ' 56' ' ' LEU . 15.2 mt -52.56 -49.04 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.427 ' HG2' HD21 ' A' ' 56' ' ' LEU . 10.2 mtm -44.18 -49.85 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.06 -42.77 95.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -55.59 -44.85 77.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.92 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.3 m -59.72 -57.25 13.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.177 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 14.8 ttmm -53.79 -60.14 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.486 ' CD ' ' NZ ' ' A' ' 48' ' ' LYS . 8.3 tp60 -46.5 -55.04 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.56 -35.78 5.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.98 -52.5 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 92.1 mt -49.3 -34.27 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 25' ' ' GLN . 90.6 t -70.17 -40.25 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -70.54 -51.63 27.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.74 -38.61 82.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.764 ' HB3' HG22 ' A' ' 42' ' ' VAL . 12.4 mt -53.39 -47.93 69.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -69.43 -37.29 77.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.42 85.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -87.82 23.41 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 44.14 44.37 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.51 171.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.432 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 8.9 t0 -66.07 130.0 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -48.61 -57.16 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -49.55 -49.18 47.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 7.6 mm-40 -53.73 -55.44 26.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.764 HG22 ' HB3' ' A' ' 32' ' ' LEU . 63.5 t -56.52 -55.48 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' VAL . . . -35.91 -59.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.39 -58.61 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.92 -30.71 25.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.3 t -78.72 -41.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.01 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' NZ ' ' CD ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -71.97 -41.29 67.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 52' ' ' LEU . 13.0 tp -53.22 -52.95 57.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -42.43 -41.95 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 -47.7 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 49' ' ' LEU . 35.3 mt -44.42 -45.85 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.69 -42.17 45.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 56' ' ' LEU . 17.7 mttm -69.17 -64.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.597 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 16.8 mt-30 -42.95 -24.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 56' ' ' LEU . 2.0 tm? -86.45 -68.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.23 -48.1 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.71 -50.86 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 55' ' ' GLN . . . -41.86 -53.91 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -66.86 -45.89 76.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.41 -33.69 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.866 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -89.76 129.18 36.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -131.79 146.92 52.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.87 -87.58 0.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -144.61 152.64 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.873 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -113.91 43.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.58 -174.74 38.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -109.14 156.62 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 111.119 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.7 t -109.33 143.97 38.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.913 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -153.17 159.67 42.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.498 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -67.85 -60.1 5.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.75 -12.29 32.61 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.343 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.913 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 23.5 mm-40 -85.42 -61.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -46.42 -40.66 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.3 mt -48.58 -53.79 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -52.17 -36.47 51.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.55 -42.62 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' GLU . 87.9 mt -59.23 -57.35 13.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.556 ' HG3' HD21 ' A' ' 56' ' ' LEU . 22.4 mtm -36.09 -51.76 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -57.17 -40.64 77.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' LEU . 5.2 mm-40 -62.53 -46.24 89.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.1 t -53.6 -39.49 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.9 m -72.65 -58.33 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HG2' HD11 ' A' ' 28' ' ' ILE . 62.4 tttt -50.89 -48.74 60.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG2' HD12 ' A' ' 52' ' ' LEU . 31.1 tp60 -52.77 -63.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.63 -40.02 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -71.51 -51.2 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.833 0.349 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.489 HD11 ' HG2' ' A' ' 24' ' ' LYS . 54.4 mt -50.86 -39.49 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' HA ' HD12 ' A' ' 32' ' ' LEU . 97.2 t -69.78 -34.64 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -66.17 -46.99 75.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -65.98 -37.22 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' A' ' 42' ' ' VAL . 20.7 mt -54.55 -49.03 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -73.39 -29.17 62.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -19.61 62.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -110.99 16.94 20.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.6 mtmm 53.04 45.66 28.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.56 152.5 30.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.051 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.47 132.16 47.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -46.04 -38.0 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -68.79 -46.55 68.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -59.63 -41.79 91.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 46' ' ' VAL . 87.1 t -66.11 -53.95 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.18 -48.66 9.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.69 -60.06 1.7 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -63.34 -46.51 86.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 42' ' ' VAL . 99.1 t -40.19 -66.49 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.51 -52.48 17.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 tttm -49.41 -46.9 48.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.6 tp -54.57 -56.2 21.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.9 mt -48.93 -30.12 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.04 -42.76 25.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.431 HD12 ' HG2' ' A' ' 25' ' ' GLN . 50.2 mt -53.4 -52.51 59.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -46.97 -41.39 16.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' O ' HG23 ' A' ' 58' ' ' VAL . 14.7 mttm -72.49 -60.33 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.466 ' O ' HD13 ' A' ' 18' ' ' LEU . 36.3 mt-30 -47.96 -21.75 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.556 HD21 ' HG3' ' A' ' 19' ' ' MET . 3.2 tm? -90.06 -57.3 2.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.66 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.437 HG22 ' HD3' ' A' ' 64' ' ' PRO . 34.7 t -51.12 -52.82 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.7 -49.34 28.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.59 -45.28 91.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.73 -33.05 1.08 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -64.7 144.1 98.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.565 0.698 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.78 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.81 148.61 65.16 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.8 Cg_endo -69.8 110.27 2.52 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.336 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 64' ' ' PRO . 18.6 mt-10 34.54 44.92 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.861 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -55.43 -64.09 2.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.602 0.715 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.861 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.73 -37.03 9.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.39 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -76.2 130.53 38.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.87 142.96 1.18 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.8 tttt -87.01 -49.16 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.04 -51.31 43.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -67.49 99.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -99.83 151.37 21.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.7 p -42.03 -51.68 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 42.66 74.87 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 161.91 44.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.5 p -81.45 149.09 28.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.2 t -117.16 -56.21 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.464 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m -55.26 114.43 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -42.17 -50.83 4.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.83 58.01 1.89 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.482 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 m -143.54 176.87 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -50.0 126.12 13.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.08 167.72 38.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.6 t -121.08 141.62 50.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.164 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.5 p -92.94 157.01 16.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.545 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -157.51 152.52 25.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.08 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.497 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 24.2 mmtt -64.53 -60.04 9.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.589 0.709 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.515 ' HA ' HD12 ' A' ' 15' ' ' ILE . 53.8 Cg_endo -69.73 1.62 4.25 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.545 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 15.9 tt0 -104.63 -35.53 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -71.25 -28.73 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 12' ' ' PRO . 75.3 mt -54.38 -61.72 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.4 tp60 -43.79 -40.45 4.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.44 -45.41 69.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.1 mt -58.44 -49.45 77.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 44.8 mtm -46.3 -51.8 13.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -54.19 -39.09 66.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -65.75 -53.44 40.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.3 t -52.26 -42.14 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.8 m -71.13 -58.85 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 11.3 ttmm -53.19 -60.24 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' HG2' HD12 ' A' ' 52' ' ' LEU . 38.1 tp60 -43.13 -50.83 6.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.01 -41.31 52.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -76.57 -12.98 60.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 95.8 mt -91.75 -35.5 7.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.164 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.56 -26.12 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' CG ' ' N ' ' A' ' 31' ' ' GLU . 8.8 ptm180 -72.23 -51.3 21.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 10.5 pt-20 -59.39 -38.63 81.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD13 ' HA ' ' A' ' 42' ' ' VAL . 14.5 mt -51.94 -60.27 3.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -56.01 -36.63 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -26.91 63.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 37' ' ' ALA . 35.9 mt-30 -95.43 25.68 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 35' ' ' GLN . 9.8 pttp 34.56 34.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 35' ' ' GLN . . . -57.28 155.07 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.092 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -50.77 123.21 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -28.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.25 -39.03 60.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -67.6 -40.14 84.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.637 ' HA ' HD13 ' A' ' 32' ' ' LEU . 45.0 t -68.04 -51.6 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -39.93 -52.62 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.6 -50.17 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.2 -46.17 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -51.3 -58.72 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -45.57 -52.06 11.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.464 ' HD3' HD11 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -59.03 -60.17 4.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.625 ' HA ' HD12 ' A' ' 52' ' ' LEU . 20.7 tp -42.56 -48.98 5.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 20.2 mt -54.29 -39.31 66.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.14 -19.51 56.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 49' ' ' LEU . 64.2 mt -80.05 -15.15 57.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -84.0 -27.82 28.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 58' ' ' VAL . 3.2 ptmm? -88.84 -35.72 16.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -65.51 -33.97 77.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -63.78 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.98 -47.47 21.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 54' ' ' LYS . 73.3 t -61.42 -46.08 97.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.83 -43.14 94.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.074 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -75.63 -30.57 59.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.62 27.58 26.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -106.75 143.95 28.07 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.674 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.77 148.72 65.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.328 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.9 Cg_endo -69.74 110.43 2.55 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' PRO . 5.9 mm-40 34.92 51.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.844 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -63.18 -65.54 2.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.563 0.696 . . . . 0.0 111.097 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.844 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.8 -50.38 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.316 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -115.14 107.61 15.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -158.41 -168.71 21.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.5 mtpp -57.72 172.4 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -101.18 137.37 39.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 71' ' ' LYS . 26.7 mmtp -37.04 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -92.86 118.08 30.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.5 t -128.64 137.82 51.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.17 173.96 17.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -32.53 18.39 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.1 p -93.76 -178.92 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.3 t -148.07 154.19 39.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.1 t -92.01 110.53 21.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -84.38 -44.54 13.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.84 -173.52 17.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -56.25 106.04 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 m -67.53 108.75 2.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.887 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.98 -59.64 0.53 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.435 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -95.68 143.34 27.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.6 m -145.73 147.46 31.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.89 168.55 19.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 6.7 mptt -71.09 -59.93 3.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.545 0.688 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.79 0.19 6.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.716 2.277 . . . . 0.0 112.316 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -106.38 -53.22 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 10.5 pt20 -52.02 -33.32 38.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 12' ' ' PRO . 57.5 mt -35.4 -44.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -67.07 -49.24 65.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.57 -34.9 65.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.42 HD23 ' OE2' ' A' ' 21' ' ' GLU . 17.7 mt -72.71 -63.04 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.664 ' HG3' HD21 ' A' ' 56' ' ' LEU . 36.9 mtm -41.99 -25.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.9 t70 -74.41 -56.58 4.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' OE2' HD23 ' A' ' 18' ' ' LEU . 7.9 pt-20 -63.49 -38.75 92.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.635 HG22 HD22 ' A' ' 52' ' ' LEU . 78.4 t -57.61 -48.71 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.0 m -49.27 -56.21 10.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.638 ' HG2' HD11 ' A' ' 28' ' ' ILE . 64.9 tttt -56.1 -38.16 70.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' HA ' HD12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -49.58 -69.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.86 -34.11 10.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -66.99 -35.59 80.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.638 HD11 ' HG2' ' A' ' 24' ' ' LYS . 23.5 mt -70.62 -40.25 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.26 -34.78 68.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 ttm-85 -68.4 -53.62 22.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.14 -40.16 92.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 45' ' ' GLU . 11.4 mt -55.3 -55.25 33.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -63.17 -40.55 97.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.88 -23.31 66.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -99.98 23.59 9.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.42 37.55 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.58 158.59 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 41' ' ' GLU . 6.3 t0 -57.21 118.88 5.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.802 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -38.46 -50.14 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -66.06 -40.83 91.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 4.9 tp10 -61.41 -28.83 69.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -75.3 -37.91 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.83 -51.02 59.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.85 -43.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' HG3' ' CD1' ' A' ' 32' ' ' LEU . 45.4 mm-40 -75.69 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 39.1 t -46.96 -25.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.23 -36.79 80.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -82.27 -23.0 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -72.47 -36.75 68.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.926 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.91 -42.07 88.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.949 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -72.51 -46.42 54.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.635 HD22 HG22 ' A' ' 22' ' ' VAL . 14.9 mt -48.48 -53.47 17.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -40.78 -45.34 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -69.58 -65.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -41.84 -27.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.664 HD21 ' HG3' ' A' ' 19' ' ' MET . 2.4 tm? -83.71 -65.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.91 -54.17 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.4 t -52.56 -46.5 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.83 -41.1 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.0 -45.32 92.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.77 -36.0 0.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -43.91 145.12 1.31 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.585 0.707 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.71 67.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -163.93 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.71 2.273 . . . . 0.0 112.344 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 66' ' ' ALA . 1.2 mp0 -75.93 52.91 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -34.0 -60.98 0.44 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 53.0 Cg_endo -69.77 -50.65 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.71 2.274 . . . . 0.0 112.313 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -86.02 59.59 5.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.89 44.53 1.63 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -48.16 125.71 9.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -119.22 122.82 42.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -107.1 -57.86 2.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -138.82 169.81 17.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 m -114.46 158.71 21.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.84 83.37 0.34 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 178.32 4.67 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.393 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.8 m -97.28 -53.14 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.7 p -51.66 133.07 31.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -87.5 134.71 33.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.842 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 t 42.74 41.45 2.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.63 64.32 0.57 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -89.98 91.73 8.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 t -60.77 -40.86 94.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.95 -39.22 1.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -71.32 151.66 43.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 m -120.64 96.64 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.636 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -103.62 161.99 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -64.28 -59.97 9.72 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.78 -6.39 18.5 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.342 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.636 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 83.9 mm-40 -96.92 -57.67 2.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 10.1 pt20 -45.26 -29.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.75 HG22 ' SD ' ' A' ' 19' ' ' MET . 73.5 mt -42.19 -58.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -50.86 -52.65 39.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.25 -22.32 17.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.828 ' O ' HG23 ' A' ' 22' ' ' VAL . 25.5 mt -88.07 -54.73 4.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.75 ' SD ' HG22 ' A' ' 15' ' ' ILE . 30.0 mtp -47.63 -42.42 24.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -58.58 -62.87 1.53 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 8.6 pt-20 -52.88 -45.19 67.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 18' ' ' LEU . 48.0 t -53.37 -40.13 38.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.5 m -68.14 -61.16 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -49.64 -52.56 29.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.896 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.54 ' HG2' HD12 ' A' ' 52' ' ' LEU . 31.7 tp60 -45.01 -58.48 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.97 -52.85 9.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -52.99 -49.47 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -54.43 -39.73 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.9 t -68.55 -42.06 83.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.58 -50.32 74.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.34 -41.11 96.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -53.1 -40.39 64.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -72.63 -40.01 66.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.34 72.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 36' ' ' LYS . 6.6 pt20 -96.04 23.44 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER 33.99 41.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.31 161.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.72 119.21 4.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -39.51 -68.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.5 OUTLIER -40.1 -52.88 2.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -54.19 -53.65 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.406 HG12 HG23 ' A' ' 46' ' ' VAL . 85.8 t -52.89 -49.85 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.05 -42.91 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.91 -49.83 15.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HB3' ' NE2' ' A' ' 25' ' ' GLN . 5.5 mm-40 -74.61 -45.06 47.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.406 HG23 HG12 ' A' ' 42' ' ' VAL . 83.8 t -45.38 -66.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.657 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -48.54 -45.51 37.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -56.0 -52.03 65.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.7 tp -56.38 -46.39 80.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 47' ' ' ALA . 22.9 mt -51.4 -24.24 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -88.44 -43.1 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.54 HD12 ' HG2' ' A' ' 25' ' ' GLN . 18.2 mt -52.2 -20.61 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -74.53 -31.62 62.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 58' ' ' VAL . 2.9 ptmt -81.76 -36.66 28.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 10.5 mt-30 -69.41 -41.96 75.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.483 HD21 ' HG3' ' A' ' 19' ' ' MET . 2.0 tm? -65.16 -65.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -42.32 -59.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.087 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 54' ' ' LYS . 95.7 t -47.61 -56.05 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.76 -41.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -78.47 -41.98 31.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.05 -3.33 3.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.532 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 1.4 mptm? -63.3 144.67 97.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.562 0.696 . . . . 0.0 110.926 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 153.49 68.72 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.737 2.291 . . . . 0.0 112.338 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 66' ' ' ALA . 23.7 mt-10 -75.99 51.9 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.889 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -34.0 -67.21 0.21 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.699 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.889 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 53.2 Cg_endo -69.8 -50.64 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -59.66 111.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -96.73 103.26 2.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -81.13 124.72 29.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.89 48.12 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -141.34 147.8 38.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 157.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.3 t -156.92 150.14 24.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.5 81.3 0.31 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 91.53 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 t -135.64 152.04 50.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -133.58 159.84 39.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -84.7 42.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.872 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -151.69 133.02 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.78 64.03 0.31 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.531 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -77.82 124.74 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.821 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -82.35 162.2 22.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.69 -68.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.2 m -95.72 139.16 32.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 111.148 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -76.58 116.55 17.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.926 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -127.04 152.56 47.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 2.4 mmmp? -67.78 -60.01 5.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.591 0.71 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.7 -1.27 8.13 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.926 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 60.9 mt-30 -104.81 -43.05 5.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -59.19 -26.72 65.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 12' ' ' PRO . 70.3 mt -45.31 -58.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -49.94 -56.69 9.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -49.17 -37.89 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 55' ' ' GLN . 31.0 mt -70.51 -54.72 11.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 23.9 mtm -50.11 -26.59 4.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -73.69 -57.16 4.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.482 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 17.9 pt-20 -61.48 -40.44 94.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.62 -52.5 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 m -51.91 -56.19 15.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 25.2 ttpt -52.1 -58.3 6.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.748 ' O ' HG23 ' A' ' 29' ' ' VAL . 32.2 tp60 -56.5 -35.07 67.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.51 -54.72 18.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.473 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 24' ' ' LYS . 1.3 p30 -61.33 -35.62 77.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.42 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 70.5 mt -62.81 -40.42 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 25' ' ' GLN . 91.7 t -67.01 -35.42 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.113 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.4 ttp85 -67.51 -49.03 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.472 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 14.2 pt-20 -62.68 -42.22 99.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB3' HG22 ' A' ' 42' ' ' VAL . 15.9 mt -50.76 -52.14 43.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -57.45 -46.91 83.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.78 -29.27 70.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 36' ' ' LYS . 31.8 mt-30 -89.28 26.58 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 35' ' ' GLN . 8.9 ptmm? 34.31 42.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.65 155.19 38.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -53.27 132.05 38.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -46.63 -52.34 13.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -56.63 -46.45 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -59.09 -46.27 88.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.566 HG22 ' HB3' ' A' ' 32' ' ' LEU . 84.5 t -66.41 -39.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -56.3 -59.26 5.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -37.18 -38.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -75.57 -45.76 35.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.9 t -59.8 -40.61 83.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.31 74.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -74.1 -29.43 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.711 HD22 HG21 ' A' ' 29' ' ' VAL . 9.6 tp -67.24 -50.2 61.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.7 mt -46.93 -41.79 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -68.84 -41.14 78.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 49' ' ' LEU . 22.1 mt -56.03 -34.34 65.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -55.04 -42.53 72.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 56' ' ' LEU . 75.9 mttt -68.38 -60.89 2.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.525 ' O ' HD13 ' A' ' 18' ' ' LEU . 39.8 mt-30 -43.34 -22.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -87.15 -67.41 0.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.17 -53.2 29.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.89 -43.94 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.22 -60.5 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -59.78 -37.23 78.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.424 ' C ' ' HE2' ' A' ' 62' ' ' LYS . . . 112.71 25.6 4.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' HE2' ' C ' ' A' ' 61' ' ' GLY . 6.2 mmpt? -92.87 143.94 27.71 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.586 0.707 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 146.06 59.42 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -175.18 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.402 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 3.8 tp10 -40.58 -45.84 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.432 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 66.91 54.03 0.77 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.628 0.727 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.76 161.88 44.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -90.33 121.3 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 148.45 82.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.445 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -73.14 -36.02 66.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -81.1 48.8 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -44.98 -51.05 10.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -107.15 150.9 26.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 t -86.07 111.66 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.63 -171.79 22.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 103.99 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.1 p -130.73 154.73 47.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.1 p -167.5 175.31 7.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 1' ' ' GLY . 46.8 m -38.63 114.1 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -141.21 126.22 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.65 121.26 1.01 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -76.61 101.12 5.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -87.39 88.2 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.06 57.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.9 p -108.71 173.38 6.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.8 m -98.94 101.46 12.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.665 ' HB3' ' CG ' ' A' ' 13' ' ' GLN . . . -162.68 155.97 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -71.33 -59.96 2.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.573 0.701 . . . . 0.0 110.908 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.679 ' HA ' HD12 ' A' ' 15' ' ' ILE . 52.9 Cg_endo -69.79 2.09 3.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.665 ' CG ' ' HB3' ' A' ' 10' ' ' ALA . 96.2 mm-40 -101.67 -53.26 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 9.5 pt20 -53.01 -40.13 63.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 12' ' ' PRO . 79.4 mt -40.47 -62.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -45.18 -44.02 10.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.38 81.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.042 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.584 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 16.4 mt -60.16 -64.93 0.78 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.5 mtm -41.75 -36.44 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -63.09 -59.57 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 9.1 pt-20 -59.65 -39.74 85.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.874 HG21 HD23 ' A' ' 56' ' ' LEU . 96.6 t -56.29 -39.89 62.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.134 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 99.8 m -71.7 -59.06 2.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.476 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 13.0 ttpt -46.95 -42.66 18.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.53 ' HG2' HD12 ' A' ' 52' ' ' LEU . 51.9 tp60 -46.98 -58.29 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.06 -40.38 28.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 24' ' ' LYS . 25.5 m-20 -62.22 -43.62 98.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.498 HG22 ' CD1' ' A' ' 32' ' ' LEU . 54.1 mt -63.92 -44.47 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.138 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.83 -37.6 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -70.19 -52.09 26.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -38.74 92.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' CD1' HG22 ' A' ' 28' ' ' ILE . 13.8 mt -53.35 -47.47 69.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -62.39 -44.74 95.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.32 -36.94 71.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.086 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -86.81 26.61 1.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt 39.11 40.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.63 158.5 3.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.105 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.42 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 36.0 t70 -62.63 131.93 50.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -46.03 -50.89 14.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -56.72 -53.97 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.89 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 5.9 mm-40 -51.79 -49.75 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.82 -48.06 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.25 -41.87 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.79 -61.19 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.477 ' OE2' HG21 ' A' ' 28' ' ' ILE . 4.9 mm-40 -55.65 -36.14 66.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.6 t -57.39 -63.82 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.19 -52.41 44.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.069 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -54.31 -52.69 60.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.776 ' HA ' HD12 ' A' ' 52' ' ' LEU . 28.4 tp -52.91 -48.79 66.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 54.9 mt -45.9 -39.51 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' LYS . 84.2 m-20 -73.61 -50.17 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 49' ' ' LEU . 38.0 mt -42.25 -36.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -60.34 -39.9 88.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 58' ' ' VAL . 0.7 OUTLIER -84.34 -34.93 23.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 21.7 mt-30 -65.67 -37.54 86.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.874 HD23 HG21 ' A' ' 22' ' ' VAL . 1.4 tm? -63.01 -51.38 67.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.25 -45.95 83.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 54' ' ' LYS . 96.4 t -55.35 -54.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -45.05 -47.06 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.83 -43.64 75.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.91 -39.91 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -57.66 146.68 64.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.614 0.721 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.26 38.91 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.5 Cg_endo -69.76 -174.34 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' PRO . 26.1 mt-10 -35.47 -47.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.435 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 64.3 54.35 1.43 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.9 Cg_endo -69.76 -178.23 2.25 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -85.61 159.74 19.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 155.82 -81.75 0.16 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -125.32 40.42 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.22 154.23 28.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -124.97 -36.73 2.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' LYS . 5.8 ptmm? 33.86 40.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.2 t -42.69 -51.32 5.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 54.12 -161.66 3.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.484 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.35 4.67 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.626 2.217 . . . . 0.0 112.382 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.4 p -56.21 148.68 17.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.5 p -96.67 -50.68 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -163.97 149.1 10.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.822 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -47.3 -44.34 23.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.01 68.56 0.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 p -70.65 -55.32 9.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.933 0.397 . . . . 0.0 110.881 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -70.95 98.18 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.8 -104.9 2.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 p -86.25 38.3 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.3 p -99.23 -50.24 4.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.728 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -88.18 141.03 28.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.085 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 31.9 mmtt -63.72 -59.97 10.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.55 0.691 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.64 ' HA ' HD12 ' A' ' 15' ' ' ILE . 53.4 Cg_endo -69.78 -0.21 6.6 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.728 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 33.9 tp60 -103.1 -47.68 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 12.4 pt20 -57.97 -31.88 67.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.72 ' HA ' HD12 ' A' ' 18' ' ' LEU . 87.0 mt -44.13 -61.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 5.9 tp60 -46.5 -48.42 19.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.16 83.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.962 HD13 ' HA ' ' A' ' 56' ' ' LEU . 28.0 mt -50.17 -55.32 15.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.418 ' HG2' HD11 ' A' ' 56' ' ' LEU . 59.3 mtm -52.83 -41.12 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -62.45 -50.29 72.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -48.46 -56.12 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -44.22 -42.69 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.2 m -63.24 -67.0 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 4.0 tppt? -54.93 -63.83 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -48.36 -35.29 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.965 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.7 -49.83 57.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 28' ' ' ILE . 3.4 p30 -69.7 -33.74 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.896 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.5 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 12.0 mt -60.27 -42.52 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.69 -44.18 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -57.71 -50.5 73.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 17.0 pt-20 -61.91 -42.19 98.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB3' HG22 ' A' ' 42' ' ' VAL . 13.2 mt -47.62 -52.23 18.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -63.96 -38.56 91.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.29 91.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.132 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -85.77 27.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? 44.22 48.06 7.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.48 166.72 14.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -71.41 130.69 41.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -48.97 -46.46 43.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -47.96 83.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.6 -50.57 73.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 46' ' ' VAL . 77.8 t -57.23 -45.25 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.74 -49.61 14.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.19 -54.49 6.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.24 -45.8 83.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 42' ' ' VAL . 81.9 t -47.28 -59.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.4 -56.9 10.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -49.58 -54.49 17.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.483 ' HA ' HD12 ' A' ' 52' ' ' LEU . 41.9 tp -47.43 -49.53 24.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -53.35 -42.78 67.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -62.83 -37.25 86.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 49' ' ' LEU . 74.9 mt -63.23 -29.7 70.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -67.31 -36.63 81.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.707 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.1 ptmm? -87.56 -33.95 18.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.433 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 22.5 mt-30 -63.67 -41.0 98.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.962 ' HA ' HD13 ' A' ' 18' ' ' LEU . 3.6 tt -63.6 -64.96 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.25 -53.84 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.072 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 54' ' ' LYS . 94.1 t -48.85 -43.31 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.61 -57.49 8.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -53.03 -39.17 62.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.31 24.33 2.45 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 148.85 51.91 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.545 0.688 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 148.66 65.51 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.344 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.7 Cg_endo -69.74 -174.31 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 2.251 . . . . 0.0 112.359 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 64' ' ' PRO . 2.7 pt-20 -34.35 -49.67 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.454 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 59.12 53.73 4.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.9 Cg_endo -69.73 -13.69 35.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -72.01 123.93 23.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.34 179.67 17.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.492 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.4 tptm 50.32 42.16 25.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -113.93 153.85 28.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.8 mttm -126.48 -58.82 1.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? 44.32 41.73 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.1 m -81.25 143.56 32.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.29 -92.08 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -0.16 6.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.674 2.249 . . . . 0.0 112.39 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 t -86.39 176.54 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.9 p -65.15 171.66 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.1 t -155.74 108.02 2.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -113.01 156.3 23.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.815 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.46 174.51 33.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.534 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -61.65 120.75 11.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -127.86 -50.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.46 -92.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.434 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.8 p 39.67 36.05 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.922 0.391 . . . . 0.0 111.157 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.5 m -85.63 120.99 27.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.852 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -137.96 156.23 48.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.534 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.9 OUTLIER -65.96 -58.37 11.27 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.589 0.709 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.5 Cg_endo -69.76 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.34 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.852 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 4.9 mm-40 -91.67 -46.63 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -57.83 -25.99 61.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 12' ' ' PRO . 89.4 mt -45.15 -55.25 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -48.49 -47.31 38.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.47 -33.02 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 20' ' ' ASP . 36.9 mt -80.36 -62.91 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 29.1 mtm -39.8 -27.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.5 t0 -77.5 -65.53 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -55.22 -47.36 75.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.524 HG22 ' HB3' ' A' ' 52' ' ' LEU . 70.2 t -49.6 -45.93 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.149 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.6 m -58.21 -61.51 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.583 ' HD3' HD11 ' A' ' 28' ' ' ILE . 15.4 ttmm -48.08 -48.36 33.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.925 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' HG2' HD12 ' A' ' 52' ' ' LEU . 53.3 tp60 -42.31 -57.14 2.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.32 -48.19 27.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.76 -45.59 91.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.583 HD11 ' HD3' ' A' ' 24' ' ' LYS . 77.1 mt -53.26 -41.63 44.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.69 -45.65 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -60.47 -47.62 85.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.79 -45.55 78.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.24 -55.33 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -58.68 -41.67 86.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.14 -22.89 65.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 36' ' ' LYS . 57.6 mt-30 -94.47 26.96 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' GLN . 17.0 pttm 37.83 40.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.97 160.8 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.53 140.28 54.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -52.09 -47.75 65.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -63.58 -44.15 94.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -46.94 72.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.8 t -67.62 -50.92 56.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.94 -44.69 7.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.33 -50.08 68.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -63.58 -47.74 80.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.1 t -49.9 -57.28 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.84 -43.2 65.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -62.21 -52.21 64.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 46.9 tp -41.95 -38.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.2 mt -59.96 -56.54 20.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -53.83 -29.73 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HB3' HG22 ' A' ' 22' ' ' VAL . 36.6 mt -78.03 -30.26 49.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -76.26 -27.72 56.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.551 ' O ' HG23 ' A' ' 58' ' ' VAL . 10.7 pttp -84.55 -34.45 23.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -73.16 -47.13 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -56.29 -48.5 76.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.25 37.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 54' ' ' LYS . 98.9 t -57.24 -47.9 83.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.85 -49.28 8.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.3 -43.87 72.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.02 -40.12 0.86 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -66.99 144.41 98.5 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.93 64.62 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.7 Cg_endo -69.76 -175.49 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.364 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.529 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 1.6 mp0 -35.66 -48.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 73.37 54.26 0.29 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.611 0.719 . . . . 0.0 111.104 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.77 -47.73 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.361 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.99 42.75 28.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.36 166.97 12.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 71' ' ' LYS . 9.7 mmtp -81.02 143.6 32.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -43.03 166.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -57.21 4.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.1 pttm 41.63 37.51 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.7 m -70.25 139.59 52.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.02 148.9 6.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -29.31 23.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.32 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 m -75.64 122.01 23.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -111.54 -57.21 2.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.498 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 t -77.69 90.71 4.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -158.41 109.58 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.32 107.18 0.31 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -167.59 162.53 14.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.862 0.363 . . . . 0.0 110.836 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.4 p -167.34 162.88 15.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.39 122.94 7.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.7 m -148.72 132.3 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.9 0.381 . . . . 0.0 111.11 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.6 m -115.33 95.73 5.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -137.33 159.8 40.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -67.85 -59.97 5.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.921 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.71 2.78 3.2 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.405 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' CD ' ' C ' ' A' ' 13' ' ' GLN . 1.5 tm0? -105.05 -55.2 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 15.5 pt20 -50.06 -33.5 18.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.424 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 97.0 mt -47.26 -57.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -47.03 -56.3 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.37 -45.27 65.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.4 mt -62.11 -58.91 6.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 42.2 mtm -44.63 -24.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -82.24 -65.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -55.92 -49.9 72.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.551 HG21 HD23 ' A' ' 56' ' ' LEU . 95.6 t -51.5 -47.81 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -64.96 -57.19 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -46.29 -47.79 18.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.531 ' HG2' HD12 ' A' ' 52' ' ' LEU . 38.3 tp60 -54.4 -50.23 68.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.38 -35.39 60.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' HA ' ' CD ' ' A' ' 30' ' ' ARG . 65.9 m-20 -73.42 -18.04 61.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 89.9 mt -85.09 -31.77 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.0 t -78.94 -37.99 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.475 ' CD ' ' HA ' ' A' ' 27' ' ' ASN . 15.7 ptm180 -56.57 -49.53 74.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 8.4 pt-20 -67.69 -37.77 82.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 15.8 mt -53.69 -47.53 70.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -73.0 -27.76 61.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.55 -6.07 54.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -116.42 26.72 9.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.5 mttm 40.67 34.03 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.75 171.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -72.14 131.5 42.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -45.5 -42.08 10.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -66.95 -47.4 71.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.74 -45.12 82.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.27 -60.61 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.45 -46.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.38 -56.83 5.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.4 -41.9 93.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' ALA . 95.9 t -52.7 -64.87 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -34.2 -43.5 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -73.15 -49.94 25.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.2 tp -50.9 -48.86 60.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -55.06 -34.96 64.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -78.63 -23.81 45.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD12 ' HG2' ' A' ' 25' ' ' GLN . 36.9 mt -77.11 -23.58 51.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -73.35 -32.58 64.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -83.16 -34.69 25.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.454 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 34.6 mt-30 -66.6 -38.52 87.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.551 HD23 HG21 ' A' ' 22' ' ' VAL . 1.3 tm? -61.18 -57.09 13.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.25 -46.71 72.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 54' ' ' LYS . 70.1 t -53.47 -56.37 8.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -48.85 -53.02 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -62.68 -36.04 81.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.45 30.34 14.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.449 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -113.51 143.97 30.43 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.536 0.684 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 152.59 69.38 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -162.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -73.79 60.79 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.921 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -45.45 -68.49 0.29 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.557 0.694 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.921 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.81 -51.19 0.4 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.694 2.262 . . . . 0.0 112.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -49.79 -57.46 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.966 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.29 -168.4 44.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.466 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -86.22 151.08 23.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -120.66 41.76 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -80.52 -54.7 5.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.21 154.82 20.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.5 p -128.72 143.11 50.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.25 80.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.46 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -25.86 28.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.2 m -135.58 164.89 26.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.2 t -76.9 126.83 31.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m 60.52 43.91 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t 38.89 41.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.04 124.22 5.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -60.43 117.17 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.83 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -130.13 176.69 7.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.793 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 8' ' ' THR . . . -137.67 -90.23 0.24 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.519 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.456 ' C ' ' O ' ' A' ' 7' ' ' GLY . 11.0 t 33.63 40.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.342 . . . . 0.0 111.116 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -56.71 167.81 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.844 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -158.88 157.21 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 13.8 mmtp -69.56 -60.01 4.28 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.558 0.694 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.627 ' HA ' HD12 ' A' ' 15' ' ' ILE . 53.6 Cg_endo -69.8 -0.74 7.39 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.844 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 19.2 mm-40 -102.75 -47.59 4.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.953 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -56.85 -34.93 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 12' ' ' PRO . 44.8 mt -52.31 -59.36 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -47.85 -34.06 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.2 -52.79 12.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 55' ' ' GLN . 12.1 mt -54.47 -49.01 71.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.465 ' CG ' HD21 ' A' ' 56' ' ' LEU . 9.1 mtm -42.74 -49.54 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -65.08 -38.14 89.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.74 -47.21 83.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -59.29 -47.87 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.2 m -63.38 -53.74 47.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -57.98 -59.69 4.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 28' ' ' ILE . 23.8 tp60 -44.32 -46.1 9.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.74 -37.0 93.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -67.25 -41.04 86.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 25' ' ' GLN . 58.7 mt -56.91 -37.91 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.8 t -68.19 -40.69 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -64.74 -56.93 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.492 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 1.9 pp20? -58.62 -35.53 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HB3' HG22 ' A' ' 42' ' ' VAL . 12.9 mt -57.83 -47.64 82.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -63.93 -43.22 96.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.97 -37.55 71.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.492 ' NE2' ' OE1' ' A' ' 31' ' ' GLU . 39.8 mt-30 -87.2 26.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt 40.8 43.71 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.19 155.74 36.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.05 132.23 53.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -47.89 -48.75 31.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -56.29 -42.95 78.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -61.07 -45.42 94.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.588 HG22 ' HB3' ' A' ' 32' ' ' LEU . 57.8 t -66.62 -52.8 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.34 -57.51 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.31 -54.32 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -55.54 -48.96 73.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 50.2 t -50.14 -58.03 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -39.14 -53.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -55.75 -54.55 43.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.4 tp -47.36 -50.42 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.4 -46.6 13.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.76 -54.47 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.5 mt -42.55 -40.28 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -48.81 -42.24 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER -77.79 -38.06 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.51 ' O ' HD13 ' A' ' 18' ' ' LEU . 34.5 mt-30 -58.5 -26.94 63.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD21 ' CG ' ' A' ' 19' ' ' MET . 2.6 tm? -79.31 -62.66 1.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.91 -50.61 68.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.101 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.572 ' CG1' ' N ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -51.94 -47.24 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.572 ' N ' ' CG1' ' A' ' 58' ' ' VAL . . . -47.88 -45.81 30.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -72.17 -37.86 69.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 132.63 -18.72 4.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -65.31 143.91 98.87 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.553 0.692 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 148.48 64.88 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -173.71 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.348 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -46.5 -32.2 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 50.72 52.79 12.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.657 0.741 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.78 -50.48 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.622 2.214 . . . . 0.0 112.34 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.2 ttmm -173.94 141.71 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.88 97.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -122.02 149.21 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.946 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -50.49 110.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -156.45 135.75 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 72' ' ' LYS . 5.8 ptmm? -35.45 133.46 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -96.49 168.4 10.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -174.31 76.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -2.09 9.6 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 t -47.75 103.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.8 p 38.84 42.25 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.512 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t 66.03 42.28 3.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.892 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -72.28 128.28 35.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.82 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.33 68.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -128.94 112.59 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.8 m -121.05 94.84 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.01 104.53 2.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.484 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 8.9 t -51.76 133.83 31.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.893 0.378 . . . . 0.0 111.128 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 46.6 p -76.55 115.19 16.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.659 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -149.64 147.03 27.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 3.0 tptp -60.6 -59.54 13.52 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.553 0.692 . . . . 0.0 110.873 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.8 Cg_endo -69.79 -2.74 10.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.659 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 1.3 tm0? -97.01 -62.77 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -38.45 -26.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 13' ' ' GLN . 70.6 mt -42.51 -58.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -45.69 -38.76 7.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.2 -30.37 60.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 mt -66.93 -56.1 11.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.509 ' HG2' HD21 ' A' ' 56' ' ' LEU . 40.2 mtm -50.55 -34.06 24.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.82 -56.19 13.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.487 ' OE2' ' CD2' ' A' ' 52' ' ' LEU . 11.3 pt-20 -62.79 -33.68 75.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 52' ' ' LEU . 31.3 t -65.13 -55.71 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.7 m -48.55 -60.98 2.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG2' HD11 ' A' ' 28' ' ' ILE . 20.4 tttp -49.26 -54.4 17.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HA ' HD12 ' A' ' 28' ' ' ILE . 58.4 tp60 -42.88 -43.94 4.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.15 -40.41 98.5 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -71.29 -45.15 63.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 25' ' ' GLN . 72.3 mt -48.47 -45.61 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.2 -40.5 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -61.0 -45.12 96.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 8.6 pt-20 -72.1 -36.66 69.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD11 ' HG3' ' A' ' 45' ' ' GLU . 16.0 mt -54.83 -49.53 70.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -67.07 -40.63 87.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.22 -25.61 68.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -94.35 26.42 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.1 mttm 42.04 35.65 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.91 152.25 28.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 42' ' ' VAL . 36.8 t0 -60.57 139.04 57.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -46.66 -46.4 19.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -58.13 -54.07 51.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -54.79 -45.79 74.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 38' ' ' ASP . 52.3 t -63.76 -60.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . -41.7 -49.58 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 43' ' ' ALA . . . -37.34 -59.93 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HG3' HD11 ' A' ' 32' ' ' LEU . 5.1 mm-40 -66.05 -47.36 74.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.7 t -44.25 -51.1 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.82 -50.82 55.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' ASP . 22.4 ttmt -56.75 -61.47 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 tp -40.71 -46.93 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -51.57 -39.35 57.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' LYS . 84.4 m-20 -74.99 -55.51 5.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.487 ' CD2' ' OE2' ' A' ' 21' ' ' GLU . 10.2 mt -45.84 -37.35 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -53.81 -42.16 68.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -77.21 -33.15 56.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.436 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 14.0 mt-30 -64.88 -44.7 88.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 19' ' ' MET . 0.9 OUTLIER -62.56 -60.81 3.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 62' ' ' LYS . . . -42.17 -62.04 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.145 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.9 t -51.87 -51.86 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.88 -45.55 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -74.15 -48.58 28.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 140.28 -22.55 2.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.45 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.58 ' HD2' ' HB1' ' A' ' 57' ' ' ALA . 0.0 OUTLIER -76.15 152.57 84.2 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 133.64 26.03 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.236 . . . . 0.0 112.344 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -167.33 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 0.0 112.299 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -44.62 -30.39 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 53.84 53.55 10.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 111.096 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 54.3 Cg_endo -69.68 -169.26 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.364 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -97.06 109.05 21.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.3 120.82 3.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.07 150.44 30.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 72' ' ' LYS . 10.8 tmtt? -136.16 142.47 44.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 71' ' ' LYS . 1.7 mmpt? -123.95 158.98 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -159.96 107.49 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.2 t -133.88 148.85 51.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.05 -91.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 95.79 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.679 2.252 . . . . 0.0 112.343 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 t -70.18 -55.69 8.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.9 p -141.85 151.39 42.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -125.95 116.39 21.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -138.85 158.14 44.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.11 102.19 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 8' ' ' THR . 24.0 t -105.83 89.34 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.351 . . . . 0.0 110.864 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 7' ' ' GLY . 25.5 m 59.82 34.48 21.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.07 66.62 0.33 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 5' ' ' SER . 13.1 t -158.82 145.14 16.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.379 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -136.26 147.29 47.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.947 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -114.65 155.37 26.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 1.0 OUTLIER -70.16 -59.99 3.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.8 -12.85 33.66 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.738 2.292 . . . . 0.0 112.34 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.947 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 33.1 mt-30 -91.55 -55.21 3.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 15' ' ' ILE . 19.2 pt20 -51.46 -48.4 62.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.565 HG22 ' HE2' ' A' ' 19' ' ' MET . 60.5 mt -40.81 -60.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.552 ' HA ' ' HE2' ' A' ' 19' ' ' MET . 54.4 tp60 -47.8 -40.04 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -46.45 68.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.588 ' CD1' ' CB ' ' A' ' 59' ' ' ALA . 18.9 mt -58.15 -56.65 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.565 ' HE2' HG22 ' A' ' 15' ' ' ILE . 36.1 mtm -39.91 -47.57 2.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -62.38 -46.19 89.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -50.4 -51.37 46.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.87 -53.07 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.9 m -49.57 -49.14 47.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -66.76 -51.71 52.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 45' ' ' GLU . 14.6 tp60 -50.5 -59.1 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.59 -40.7 8.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -71.27 -40.21 71.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.12 -39.09 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.407 HG21 HD22 ' A' ' 49' ' ' LEU . 97.7 t -68.86 -38.55 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -62.14 -54.36 42.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.78 -42.5 97.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.552 ' HB3' HG22 ' A' ' 42' ' ' VAL . 12.5 mt -45.31 -49.59 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -65.3 -43.56 90.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -41.34 85.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -85.71 26.62 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.41 42.31 1.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.01 166.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.471 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 32.8 t0 -74.9 124.1 26.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -38.91 -53.05 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -58.68 -48.54 80.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 6.6 mm-40 -52.89 -49.44 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG22 ' HB3' ' A' ' 32' ' ' LEU . 74.0 t -63.92 -46.02 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -42.91 -41.11 3.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.82 -56.08 26.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HB3' ' NE2' ' A' ' 25' ' ' GLN . 9.6 mm-40 -58.91 -34.65 71.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.15 -47.22 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.72 20.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -62.05 -35.27 78.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 22.7 tp -64.12 -70.96 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' LEU . 94.9 mt -35.1 -34.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' LEU . 0.4 OUTLIER -81.95 -44.7 16.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.7 mt -52.98 -34.63 56.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -56.93 -42.42 79.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.5 ptmt -72.91 -33.05 65.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 31.3 mt-30 -68.7 -49.81 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 56' ' ' LEU . 1.7 tm? -50.89 -52.14 44.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.32 -53.22 60.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 54' ' ' LYS . 99.9 t -51.95 -55.57 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.588 ' CB ' ' CD1' ' A' ' 18' ' ' LEU . . . -42.35 -48.02 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -65.49 -43.4 90.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.93 -37.65 1.16 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -49.23 143.95 8.8 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 161.08 47.31 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' GLU . 53.8 Cg_endo -69.79 -171.66 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.519 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 27.5 mt-10 -34.96 -48.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . 72.79 53.24 0.29 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.592 0.711 . . . . 0.0 111.05 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.78 160.07 51.06 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.353 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -63.6 151.65 41.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 138.77 -44.6 1.09 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.445 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -102.89 122.03 43.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -62.1 84.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 73' ' ' LYS . 6.0 ptmm? -77.3 122.72 25.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -31.32 132.79 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.2 t -61.35 -47.11 87.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.07 82.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -44.79 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.72 2.28 . . . . 0.0 112.34 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 97.0 p -113.88 107.6 15.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 62.9 p -117.38 115.47 25.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -86.38 -179.67 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -154.53 131.6 10.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.26 -175.84 21.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -119.24 41.38 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.904 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 m -110.64 107.39 16.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.08 156.86 2.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.5 p -107.32 39.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.869 0.366 . . . . 0.0 111.126 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 58.4 p -97.46 107.11 19.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.808 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . . . -162.24 134.41 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 13.4 mmtm -62.59 -59.94 11.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.78 -1.69 8.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.26 . . . . 0.0 112.356 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.808 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 13.1 tt0 -100.79 -56.03 2.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -48.89 -44.02 39.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG22 ' SD ' ' A' ' 19' ' ' MET . 96.1 mt -39.65 -57.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -51.92 -42.59 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.14 -54.8 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLU . 20.1 mt -51.95 -55.85 17.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.52 ' HG3' HD21 ' A' ' 56' ' ' LEU . 19.7 mtp -36.26 -57.95 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.45 -42.84 54.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 18' ' ' LEU . 34.3 mm-40 -59.52 -52.85 63.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.5 -42.04 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.5 m -66.65 -57.85 6.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.145 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' GLN . 28.0 ttpt -57.38 -58.46 8.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.633 ' HG2' HD12 ' A' ' 52' ' ' LEU . 42.9 tp60 -37.97 -57.73 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.28 -40.4 29.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -67.01 -44.89 79.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.909 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 25' ' ' GLN . 74.8 mt -51.51 -42.87 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -62.84 -41.87 94.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -61.95 -53.23 58.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.83 -39.96 93.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.772 HD11 ' HG3' ' A' ' 45' ' ' GLU . 12.5 mt -48.62 -58.45 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -53.13 -45.23 68.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.82 72.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -86.83 26.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt 41.49 42.17 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.12 143.67 52.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.11 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -57.58 135.35 56.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -44.6 -36.65 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.459 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 46.7 t30 -66.36 -48.51 69.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -54.57 -41.46 69.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.525 ' HA ' HD13 ' A' ' 32' ' ' LEU . 57.6 t -69.8 -47.05 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.18 -46.15 11.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -54.54 -60.42 3.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.07 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.772 ' HG3' HD11 ' A' ' 32' ' ' LEU . 41.0 mm-40 -53.7 -43.58 69.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 42' ' ' VAL . 85.9 t -60.38 -49.02 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.84 -55.1 15.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 49' ' ' LEU . 15.5 ptpt -62.29 -36.34 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 48' ' ' LYS . 29.1 tp -58.57 -38.6 78.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.46 -45.5 91.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -70.04 -32.06 70.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.633 HD12 ' HG2' ' A' ' 25' ' ' GLN . 88.3 mt -66.87 -31.47 72.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -67.99 -36.87 80.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.694 ' O ' HG23 ' A' ' 58' ' ' VAL . 14.6 pttt -85.85 -35.69 20.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.962 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.43 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 6.5 mt-30 -60.06 -40.97 91.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.52 HD21 ' HG3' ' A' ' 19' ' ' MET . 2.4 tm? -59.14 -56.22 24.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.36 -55.6 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 54' ' ' LYS . 93.2 t -42.71 -60.35 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -43.22 -54.46 4.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -62.0 -36.17 80.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.55 31.08 6.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.501 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -102.31 161.38 23.52 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.564 0.697 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 53.3 Cg_endo -69.77 110.34 2.53 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.4 Cg_endo -69.8 107.57 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.284 . . . . 0.0 112.313 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' PRO . 9.0 mm-40 33.87 33.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.786 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -67.1 -60.99 5.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.557 0.694 . . . . 0.0 111.081 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.77 -42.87 3.02 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.44 137.25 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -161.88 163.94 35.03 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 148.67 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -123.2 102.63 8.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -164.37 163.15 22.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.53 109.54 10.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.2 t -93.68 146.62 23.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.55 146.7 17.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 127.79 15.09 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.27 . . . . 0.0 112.309 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -105.29 82.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.7 m -73.39 92.5 1.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -170.08 126.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -110.63 166.27 11.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.35 -168.12 30.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -83.0 -52.89 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -59.91 139.45 57.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.01 131.69 3.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -133.22 106.78 7.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 111.108 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 9' ' ' THR . 9.2 t -99.15 126.16 44.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . . . -125.69 157.25 37.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -66.12 -59.96 7.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.948 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.866 ' HA ' HD12 ' A' ' 15' ' ' ILE . 54.3 Cg_endo -69.72 -0.88 7.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.319 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.549 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 25.7 tt0 -99.69 -45.81 5.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -65.03 -35.96 82.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 12' ' ' PRO . 47.7 mt -47.26 -62.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -40.13 -41.03 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.61 -41.03 80.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 15' ' ' ILE . 44.3 mt -55.77 -45.53 78.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.4 mtm -55.52 -37.79 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -67.19 -48.61 67.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -47.26 -58.01 4.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.429 HG21 HD12 ' A' ' 56' ' ' LEU . 62.0 t -40.13 -45.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.2 m -58.35 -68.9 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -47.38 -51.77 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.911 ' OE1' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -51.18 -53.62 33.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.43 -45.93 29.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.97 -47.84 84.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.655 HD12 ' HA ' ' A' ' 25' ' ' GLN . 60.8 mt -48.56 -54.85 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.507 ' HA ' HD12 ' A' ' 32' ' ' LEU . 99.4 t -52.56 -48.8 46.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -51.85 -40.53 60.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.15 -45.44 84.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.816 HD13 ' HA ' ' A' ' 42' ' ' VAL . 22.3 mt -54.0 -57.93 9.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 mttm -66.62 -17.76 65.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.5 -25.93 24.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -111.46 15.46 21.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm 47.54 45.32 17.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.485 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -55.4 161.89 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -55.45 136.94 49.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -39.11 -54.46 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.61 -39.63 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -60.27 -41.18 92.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.816 ' HA ' HD13 ' A' ' 32' ' ' LEU . 42.5 t -67.92 -52.52 38.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.24 -51.6 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -37.33 -40.87 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.773 ' HG3' HD11 ' A' ' 32' ' ' LEU . 41.0 mm-40 -82.08 -50.78 8.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 94.1 t -46.15 -54.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.86 -60.15 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -52.67 25.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.911 HD13 ' OE1' ' A' ' 25' ' ' GLN . 27.1 tp -45.07 -52.61 8.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.6 mt -57.87 -31.0 66.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.57 -23.32 50.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.61 HD12 ' HG3' ' A' ' 25' ' ' GLN . 20.4 mt -74.79 -25.33 58.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -30.05 61.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 58' ' ' VAL . 9.8 ptmt -87.99 -36.12 17.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.79 -32.71 73.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.676 ' HA ' HD13 ' A' ' 18' ' ' LEU . 1.9 tt -72.78 -68.71 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.04 -60.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 54' ' ' LYS . 71.0 t -41.98 -44.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.472 ' HB1' HG12 ' A' ' 15' ' ' ILE . . . -65.94 -58.6 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -50.22 -33.45 19.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.65 14.36 23.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.73 151.84 68.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 53.5 Cg_endo -69.78 110.22 2.5 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.638 2.225 . . . . 0.0 112.357 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.3 Cg_endo -69.81 105.06 1.43 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' HG3' ' CB ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER 37.84 27.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.906 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -69.8 -68.63 0.52 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.529 0.68 . . . . 0.0 111.12 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.906 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 52.8 Cg_endo -69.78 2.76 3.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.294 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' CB ' ' HG3' ' A' ' 65' ' ' GLU . 0.1 OUTLIER -67.32 -65.1 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -154.2 -58.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.559 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.8 mmtm -55.94 144.8 27.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.1 tttp -149.42 135.97 19.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt 58.08 45.21 18.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -80.02 85.51 5.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.9 t -103.34 142.97 33.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 138.04 83.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.533 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 77' ' ' SER . 53.7 Cg_endo -69.79 -47.79 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.655 2.236 . . . . 0.0 112.331 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 76' ' ' PRO . 2.8 t 36.0 43.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.6 t -77.32 -62.37 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 1' ' ' GLY . 44.9 t -35.18 110.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.3 p -79.34 -50.99 10.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.9 -168.11 27.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -170.64 165.91 8.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -75.99 119.97 20.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.62 122.57 7.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.5 p -60.98 158.43 13.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 111.131 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.0 p -68.54 86.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.897 ' HB3' ' HB2' ' A' ' 13' ' ' GLN . . . -106.23 147.25 29.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 6.9 mmtp -71.26 -59.92 3.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.549 0.69 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.623 ' HA ' HD12 ' A' ' 15' ' ' ILE . 54.3 Cg_endo -69.72 2.85 3.14 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.897 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -99.08 -58.09 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 27.3 pt20 -48.71 -37.02 17.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.623 HD12 ' HA ' ' A' ' 12' ' ' PRO . 88.0 mt -38.56 -64.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -42.77 -48.45 5.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.8 -56.51 21.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 mt -52.39 -50.99 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 43.3 mtm -41.37 -52.21 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -56.29 -37.96 70.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.452 ' CB ' HD22 ' A' ' 52' ' ' LEU . 49.8 mm-40 -59.43 -47.66 84.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 52' ' ' LEU . 90.3 t -56.98 -48.96 80.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.2 m -65.84 -57.5 7.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -52.08 -49.9 62.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.584 ' HB3' HD13 ' A' ' 49' ' ' LEU . 41.7 tp60 -59.34 -52.37 65.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.21 -43.42 7.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -68.23 -47.24 68.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.9 mt -58.58 -40.1 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.996 HG21 HD22 ' A' ' 49' ' ' LEU . 86.4 t -68.93 -40.48 81.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -67.38 -49.96 61.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -64.88 -39.72 93.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD11 ' HG3' ' A' ' 45' ' ' GLU . 12.0 mt -50.74 -48.4 59.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -68.66 -43.52 76.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.93 -35.27 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' A' ' 36' ' ' LYS . 32.8 mt-30 -89.32 27.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' C ' ' O ' ' A' ' 35' ' ' GLN . 0.2 OUTLIER 30.62 47.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.67 171.85 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -55.74 127.82 31.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -45.6 38.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -58.67 -51.08 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -54.7 -45.99 74.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 46' ' ' VAL . 99.4 t -58.55 -51.82 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.54 -52.78 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.1 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.51 -44.62 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' HG3' HD11 ' A' ' 32' ' ' LEU . 5.5 mm-40 -69.41 -41.82 75.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 42' ' ' VAL . 87.6 t -46.03 -56.78 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.5 -60.41 2.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -50.71 -64.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.996 HD22 HG21 ' A' ' 29' ' ' VAL . 32.6 tp -41.1 -60.47 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -39.56 -38.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.93 -34.73 51.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' ' 49' ' ' LEU . 65.1 mt -62.9 -8.29 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 -31.6 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.864 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.7 ptpt -90.81 -38.26 13.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -65.75 -38.32 88.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.3 -67.0 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.14 -51.36 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 54' ' ' LYS . 76.7 t -45.96 -57.46 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.66 -46.78 67.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -58.17 -39.54 79.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.46 29.85 4.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -111.11 155.73 42.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 127.32 14.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.714 2.276 . . . . 0.0 112.319 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -172.38 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.346 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -40.1 -45.34 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 58.43 54.23 5.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.106 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 53.7 Cg_endo -69.76 125.16 11.83 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.303 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -71.97 154.47 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 70' ' ' LYS . . . 131.09 127.82 2.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 69' ' ' GLY . 1.0 OUTLIER -34.38 139.79 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.88 0.371 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -169.36 142.26 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -110.4 148.71 31.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -99.45 164.91 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m 55.44 44.13 27.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.18 156.68 22.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 1.11 4.75 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.288 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -45.93 126.02 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.8 t -87.13 -45.98 10.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 t -148.15 151.63 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -103.89 92.69 4.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.22 -142.01 6.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -103.56 106.96 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.835 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.5 p -76.3 143.32 40.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.4 -92.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.443 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.0 p -66.71 108.35 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.139 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -40.51 141.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.757 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -144.84 130.4 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 7.2 tppt? -62.82 -59.38 12.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.589 0.709 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.752 ' HA ' HD12 ' A' ' 15' ' ' ILE . 54.1 Cg_endo -69.71 3.39 2.78 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.757 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 23.0 tt0 -99.61 -54.8 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 pt20 -50.63 -36.29 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 12' ' ' PRO . 64.8 mt -43.12 -48.56 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -55.2 -48.94 73.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.18 82.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 22' ' ' VAL . 68.7 mt -55.64 -49.01 74.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.4 mtm -54.71 -32.31 59.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -71.67 -59.13 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -56.87 -47.79 79.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 18' ' ' LEU . 87.8 t -54.71 -55.09 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.1 m -53.71 -59.73 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -42.79 -45.53 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.479 ' HA ' HD12 ' A' ' 28' ' ' ILE . 53.4 tp60 -53.0 -61.44 2.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -39.99 -45.1 2.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -63.21 -50.72 69.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 25' ' ' GLN . 78.6 mt -46.63 -51.02 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.7 t -54.03 -45.18 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.2 tpt85 -59.45 -37.24 77.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.21 -44.05 93.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' ' 42' ' ' VAL . 18.1 mt -56.74 -57.64 11.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -56.05 -35.13 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.27 -36.5 66.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' LYS . 45.6 mt-30 -97.28 24.26 6.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' GLN . 61.5 mttm 38.4 44.62 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . . . -56.18 172.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -71.92 131.13 42.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -45.91 -54.03 8.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -49.45 -44.59 45.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.57 -55.03 27.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.747 ' HA ' HD13 ' A' ' 32' ' ' LEU . 37.4 t -53.49 -47.15 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.36 -49.67 53.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -51.65 -46.72 63.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -67.35 -45.97 74.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 42' ' ' VAL . 96.9 t -48.48 -65.08 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 50' ' ' LEU . . . -47.09 -51.22 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.608 ' HE3' HD11 ' A' ' 52' ' ' LEU . 49.0 tttp -53.46 -54.56 35.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.9 tp -40.21 -48.42 2.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 47' ' ' ALA . 35.0 mt -47.83 -59.88 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.415 ' OD1' ' NE2' ' A' ' 55' ' ' GLN . 4.4 t0 -53.67 -32.4 51.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.608 HD11 ' HE3' ' A' ' 48' ' ' LYS . 31.5 mt -73.93 -35.61 64.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -75.57 -30.71 59.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' O ' HG23 ' A' ' 58' ' ' VAL . 9.5 ptmt -83.63 -33.63 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.415 ' NE2' ' OD1' ' A' ' 51' ' ' ASP . 8.4 mt-30 -68.57 -43.93 75.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 56' ' ' LEU . 1.5 tm? -52.11 -65.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -41.47 -54.26 3.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 54' ' ' LYS . 87.8 t -50.0 -53.27 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.54 -49.3 56.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -64.41 -41.49 96.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.7 -36.34 0.92 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.548 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 34.0 mmtt -52.3 143.67 25.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 167.14 25.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.645 2.23 . . . . 0.0 112.391 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -163.77 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 67' ' ' PRO . 56.0 mt-10 -78.27 46.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.523 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -26.48 91.1 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.53 ' N ' ' O ' ' A' ' 65' ' ' GLU . 53.6 Cg_endo -69.78 164.42 34.62 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.336 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -108.53 94.46 5.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.95 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 104.86 92.74 2.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 71' ' ' LYS . 18.3 pttp -130.04 156.67 44.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -34.55 144.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -40.57 134.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -40.24 130.77 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 t -79.17 129.3 34.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -114.87 66.57 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -176.99 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.686 2.258 . . . . 0.0 112.317 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.8 p -82.74 117.57 22.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 94.3 p -82.74 -35.68 26.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -46.09 152.28 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -52.85 -47.79 67.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.63 -103.03 1.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -112.97 177.05 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 m -57.44 -51.94 67.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.27 149.71 18.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.3 m -109.2 82.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.389 . . . . 0.0 111.129 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 9' ' ' THR . 6.1 t -174.64 108.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -167.62 161.28 13.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.491 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 9.9 tptp -61.11 -59.87 12.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.6 Cg_endo -69.76 -9.85 27.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.713 2.276 . . . . 0.0 112.309 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 42.6 tp60 -90.74 -55.22 3.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -45.69 -24.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.751 ' HA ' HD12 ' A' ' 18' ' ' LEU . 90.1 mt -54.29 -56.25 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.653 ' HA ' ' HE3' ' A' ' 19' ' ' MET . 50.7 tp60 -52.91 -46.5 68.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.2 -48.47 78.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 15' ' ' ILE . 12.9 mt -51.98 -56.3 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.653 ' HE3' ' HA ' ' A' ' 16' ' ' GLN . 29.8 mtm -38.88 -42.29 0.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.79 -42.39 95.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' LEU . 6.1 mm-40 -61.74 -48.9 78.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.4 t -54.64 -41.98 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.8 m -66.08 -58.79 4.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 25' ' ' GLN . 22.1 tttm -57.28 -59.53 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.686 ' HG3' HD13 ' A' ' 49' ' ' LEU . 28.0 tp60 -36.23 -61.34 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.16 -57.15 5.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -47.56 -52.89 16.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -50.43 -43.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.652 HG21 HD22 ' A' ' 49' ' ' LEU . 93.5 t -64.54 -44.82 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.41 -50.16 74.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 9.0 pt-20 -65.57 -39.1 91.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.701 HD11 ' HG3' ' A' ' 45' ' ' GLU . 13.9 mt -49.27 -51.62 32.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -61.83 -43.94 97.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -33.11 73.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.101 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' LYS . 23.4 mt-30 -87.14 26.37 1.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' GLN . 27.2 mttm 35.85 41.87 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.45 156.16 33.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.455 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.0 t70 -60.63 131.15 49.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -49.32 -41.66 39.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -61.44 -49.99 74.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -58.87 -42.43 89.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 38' ' ' ASP . 58.9 t -61.79 -49.72 83.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.86 -52.74 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.49 -47.61 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.701 ' HG3' HD11 ' A' ' 32' ' ' LEU . 69.0 mm-40 -67.25 -46.26 74.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.4 t -56.45 -40.92 70.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.31 -49.04 70.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD2' ' NE2' ' A' ' 25' ' ' GLN . 7.3 ptpp? -72.0 -30.14 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.686 HD13 ' HG3' ' A' ' 25' ' ' GLN . 23.4 tp -66.8 -51.99 49.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.43 -42.9 44.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -57.46 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 43.8 mt -42.85 -34.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -60.42 -40.37 90.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.6 pttp -80.59 -36.47 32.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 16.4 mt-30 -60.53 -47.31 86.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 56' ' ' LEU . 1.4 tm? -56.85 -67.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.58 -62.98 1.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 54' ' ' LYS . 84.2 t -49.47 -52.61 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -46.15 -62.24 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -51.14 -40.19 57.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.09 27.18 5.46 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.507 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -102.11 161.01 24.69 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 144.03 52.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.727 2.285 . . . . 0.0 112.308 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -164.28 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.533 ' O ' ' C ' ' A' ' 66' ' ' ALA . 1.3 mp0 -77.85 46.76 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -26.5 91.09 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.629 0.728 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.52 ' N ' ' O ' ' A' ' 65' ' ' GLU . 53.9 Cg_endo -69.76 2.16 3.78 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.435 ' HD2' ' C ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -116.69 159.76 21.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -109.71 -135.38 7.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.51 44.85 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.61 -57.74 7.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 tttm -110.23 155.21 22.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 74' ' ' SER . 33.9 ttpt -76.66 159.3 30.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.458 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 1.8 m -117.35 130.13 56.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.37 67.3 0.56 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 77' ' ' SER . 54.3 Cg_endo -69.7 1.26 4.55 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.326 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 76' ' ' PRO . 35.5 m -35.94 -54.3 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.1 p -135.5 122.52 21.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -110.66 85.1 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.87 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -157.88 142.15 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.8 -100.42 0.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.5 p -151.88 139.07 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.916 0.389 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 t -136.62 150.96 48.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.57 -41.41 0.32 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.1 m -108.76 148.96 29.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 0.0 111.14 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.8 m -78.71 117.11 19.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.791 ' HB3' ' HB3' ' A' ' 13' ' ' GLN . . . -88.89 134.91 33.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 14.2 mtmm -71.52 -59.97 2.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.532 0.682 . . . . 0.0 110.888 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.2 Cg_endo -69.75 2.86 3.15 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.791 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 14.2 tt0 -110.72 -46.06 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 5.9 pt20 -57.58 -44.28 85.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.459 ' N ' ' HG3' ' A' ' 14' ' ' GLN . 70.2 mt -40.71 -59.28 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -46.84 -47.1 21.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.8 -59.31 5.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.3 mt -46.49 -51.09 16.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 11.7 mtm -41.22 -54.75 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -56.75 -43.9 81.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -56.78 -48.83 77.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.547 HG21 ' HG ' ' A' ' 56' ' ' LEU . 99.5 t -52.38 -45.25 44.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.9 m -67.44 -61.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -45.87 -48.87 15.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.593 ' OE1' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -44.37 -64.48 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.57 -37.65 3.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -72.82 -43.71 62.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 97.2 mt -56.76 -42.29 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' OE1' ' A' ' 25' ' ' GLN . 88.9 t -66.38 -41.68 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -60.28 -49.81 76.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 32' ' ' LEU . 21.0 pt-20 -65.97 -44.51 84.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD11 ' HG3' ' A' ' 45' ' ' GLU . 11.8 mt -46.43 -46.11 18.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -68.57 -43.48 76.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.51 70.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.123 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -88.03 26.11 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt 40.37 41.81 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.4 150.39 49.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 42' ' ' VAL . 8.4 t70 -50.0 136.15 19.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -48.9 -58.83 4.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -52.76 -50.53 63.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -50.37 -53.06 31.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 38' ' ' ASP . 93.9 t -54.86 -47.89 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.86 -46.7 71.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.91 -47.06 2.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' HG3' HD11 ' A' ' 32' ' ' LEU . 21.9 mm-40 -72.26 -43.41 64.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 95.3 t -43.24 -55.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.82 -56.31 23.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 49' ' ' LEU . 2.0 tmmm? -46.77 -45.97 20.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 25' ' ' GLN . 23.4 tp -49.86 -50.89 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -42.91 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -62.29 -49.03 77.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 mt -48.79 -50.28 34.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -46.13 -42.69 14.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 56' ' ' LEU . 37.2 mttp -68.29 -65.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -42.82 -23.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.547 ' HG ' HG21 ' A' ' 22' ' ' VAL . 1.7 tm? -84.55 -66.41 0.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' ' 62' ' ' LYS . . . -52.59 -58.19 7.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.6 t -44.12 -35.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.65 -43.6 46.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -84.42 26.27 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 40.18 46.69 3.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.502 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 24.7 mmmt -91.5 151.42 42.57 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.4 59.89 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.248 . . . . 0.0 112.362 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -164.82 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 66' ' ' ALA . 38.6 mt-10 -78.09 49.78 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.53 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -26.5 91.06 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.607 0.717 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.527 ' N ' ' O ' ' A' ' 65' ' ' GLU . 54.4 Cg_endo -69.66 163.34 38.55 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.399 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -45.66 122.05 3.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 176.86 -94.69 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -150.67 140.46 21.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.85 155.32 23.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -128.25 88.81 2.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -111.18 70.5 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.9 p -74.66 -53.77 8.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.45 151.63 48.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -49.65 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.649 2.233 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -113.72 135.67 53.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.6 m -71.95 95.82 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -105.33 154.65 19.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 t -99.33 -59.34 1.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.33 40.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 m -131.29 131.14 43.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 m 58.95 44.37 16.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.14 157.77 23.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -112.21 145.8 39.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.36 . . . . 0.0 111.119 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.8 m -89.95 111.6 22.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.499 ' CB ' ' HB2' ' A' ' 13' ' ' GLN . . . -108.16 162.33 14.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.096 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.634 ' CB ' ' CD ' ' A' ' 12' ' ' PRO . 2.0 mptm? -95.79 -70.6 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 11' ' ' LYS . 54.0 Cg_endo -69.75 -26.14 27.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.33 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.499 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 1.0 OUTLIER -78.9 -51.61 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 15' ' ' ILE . 5.4 pt20 -49.26 -27.14 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.664 HG22 ' SD ' ' A' ' 19' ' ' MET . 96.1 mt -46.94 -49.16 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -54.4 -34.06 60.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.55 -47.7 38.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 25.8 mt -59.58 -57.67 11.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.664 ' SD ' HG22 ' A' ' 15' ' ' ILE . 19.4 mtp -36.07 -57.86 0.68 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -49.27 -47.19 46.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -50.8 -51.28 52.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.57 -34.67 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.9 m -75.44 -61.61 1.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -50.63 -57.51 8.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.456 ' OE1' ' CE ' ' A' ' 48' ' ' LYS . 41.4 tp60 -39.97 -50.17 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.99 -49.33 55.81 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -56.62 -47.23 80.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.5 mt -52.6 -60.7 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 91.9 t -44.48 -47.82 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' CD ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -54.36 -47.32 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' OE1' ' CD ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -60.2 -39.45 86.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.858 ' HB3' HG22 ' A' ' 42' ' ' VAL . 24.9 mt -68.78 -47.88 65.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -65.67 -22.89 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.32 -16.61 23.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -110.13 15.56 22.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt 43.18 28.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.64 159.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 42' ' ' VAL . 5.9 t0 -54.35 136.83 43.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -55.33 -40.81 71.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -53.13 61.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.47 -53.2 60.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.858 HG22 ' HB3' ' A' ' 32' ' ' LEU . 61.4 t -56.6 -51.61 63.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' VAL . . . -37.48 -56.34 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -45.5 -48.47 14.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.103 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.36 -42.64 83.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.46 HG23 HG12 ' A' ' 42' ' ' VAL . 96.2 t -53.31 -55.97 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.16 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.72 -63.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.814 ' HE2' HD11 ' A' ' 52' ' ' LEU . 21.0 tttt -39.32 -41.06 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.04 -55.77 19.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.1 mt -52.09 -20.92 2.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.92 -46.39 8.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.814 HD11 ' HE2' ' A' ' 48' ' ' LYS . 40.4 mt -48.0 -28.65 2.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -64.3 -36.57 84.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.594 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.1 pttp -81.24 -37.48 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.458 ' N ' ' HG2' ' A' ' 54' ' ' LYS . 17.3 mt-30 -64.75 -47.62 77.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.803 HD13 ' OE1' ' A' ' 60' ' ' GLU . 2.4 tm? -55.09 -67.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.573 ' HB1' ' O ' ' A' ' 62' ' ' LYS . . . -39.21 -65.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 54' ' ' LYS . 89.7 t -39.89 -58.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 18' ' ' LEU . . . -37.55 -48.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.081 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.803 ' OE1' HD13 ' A' ' 56' ' ' LEU . 7.5 mp0 -74.54 -41.05 61.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.23 14.12 9.35 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.573 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 3.7 pttm -111.02 148.69 39.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 148.68 65.41 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.257 . . . . 0.0 112.321 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -163.85 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ALA . 31.7 mm-40 -75.94 52.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.818 ' HB3' ' HD3' ' A' ' 67' ' ' PRO . . . -34.24 -62.87 0.36 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 111.054 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.818 ' HD3' ' HB3' ' A' ' 66' ' ' ALA . 54.1 Cg_endo -69.7 -50.74 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.39 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -76.74 71.64 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 126.89 55.47 0.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -69.23 120.13 14.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -108.26 157.95 17.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.2 pttt -108.14 158.49 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -174.97 156.18 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.7 m 64.98 35.54 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 41.86 83.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 147.99 63.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.1 m 47.39 40.77 11.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.1 t -119.91 121.71 39.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.528 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 t -130.77 109.87 10.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.361 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -123.43 41.51 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.64 99.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.483 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -112.86 -49.67 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.903 0.383 . . . . 0.0 110.85 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -147.34 122.52 10.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.66 91.32 0.54 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -46.56 141.59 3.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 111.163 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 t -83.16 145.26 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.822 ' HB3' ' CB ' ' A' ' 13' ' ' GLN . . . -168.96 118.51 0.7 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -45.9 -59.71 4.38 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.56 0.695 . . . . 0.0 110.873 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 53.9 Cg_endo -69.76 2.97 3.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.822 ' CB ' ' HB3' ' A' ' 10' ' ' ALA . 5.2 tp-100 -105.24 -67.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 13' ' ' GLN . 14.4 pt20 -37.33 -29.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' A' ' 13' ' ' GLN . 71.1 mt -52.52 -58.47 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -52.42 -42.15 63.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.3 70.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' CB ' HD23 ' A' ' 56' ' ' LEU . 15.2 mt -52.56 -49.04 65.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.427 ' HG2' HD21 ' A' ' 56' ' ' LEU . 10.2 mtm -44.18 -49.85 8.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.06 -42.77 95.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -55.59 -44.85 77.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.92 -46.34 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 98.3 m -59.72 -57.25 13.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.177 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HG2' ' CD1' ' A' ' 28' ' ' ILE . 14.8 ttmm -53.79 -60.14 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.486 ' CD ' ' NZ ' ' A' ' 48' ' ' LYS . 8.3 tp60 -46.5 -55.04 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -45.56 -35.78 5.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.98 -52.5 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 24' ' ' LYS . 92.1 mt -49.3 -34.27 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 25' ' ' GLN . 90.6 t -70.17 -40.25 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -70.54 -51.63 27.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.74 -38.61 82.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.764 ' HB3' HG22 ' A' ' 42' ' ' VAL . 12.4 mt -53.39 -47.93 69.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -69.43 -37.29 77.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 -42.42 85.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -87.82 23.41 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? 44.14 44.37 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.51 171.41 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.432 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 8.9 t0 -66.07 130.0 41.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -48.61 -57.16 6.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -49.55 -49.18 47.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' CG ' ' HB3' ' A' ' 38' ' ' ASP . 7.6 mm-40 -53.73 -55.44 26.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.764 HG22 ' HB3' ' A' ' 32' ' ' LEU . 63.5 t -56.52 -55.48 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' VAL . . . -35.91 -59.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.39 -58.61 2.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -51.92 -30.71 25.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.3 t -78.72 -41.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.01 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' NZ ' ' CD ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -71.97 -41.29 67.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HA ' HD12 ' A' ' 52' ' ' LEU . 13.0 tp -53.22 -52.95 57.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -42.43 -41.95 3.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.96 -47.7 57.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 49' ' ' LEU . 35.3 mt -44.42 -45.85 9.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.69 -42.17 45.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 56' ' ' LEU . 17.7 mttm -69.17 -64.91 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.597 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 16.8 mt-30 -42.95 -24.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.536 HD13 ' C ' ' A' ' 56' ' ' LEU . 2.0 tm? -86.45 -68.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.23 -48.1 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 48.3 t -62.71 -50.86 78.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 55' ' ' GLN . . . -41.86 -53.91 3.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -66.86 -45.89 76.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.41 -33.69 1.09 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -57.96 142.56 79.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 148.69 65.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 0.0 112.331 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -176.78 1.61 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -38.99 -44.23 1.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.448 ' N ' ' CD ' ' A' ' 67' ' ' PRO . . . 62.05 54.15 2.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 66' ' ' ALA . 54.4 Cg_endo -69.71 94.52 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.401 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.2 tptt -45.68 139.63 3.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 169.98 -114.9 0.57 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -126.97 130.46 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.66 151.39 43.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 127.15 37.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 140.63 50.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.8 p 44.33 42.77 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.96 158.57 6.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -11.96 31.83 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.266 . . . . 0.0 112.317 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.9 p -163.55 173.77 12.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.1 m 59.73 44.3 14.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.999 . . . . . . . . 0 0 . 1 stop_ save_